3-(dimethylsulfamoyl)-1H-indole-2-carboxamide;ethane;ethyl 1-(benzenesulfonyl)-3-chlorosulfonylindole-2-carboxylate;ethyl 1-(benzenesulfonyl)-3-(dimethylsulfamoyl)indole-2-carboxylate;methane;N-methylmethanamine

C66H106ClN7O15S5 — CID 157256453

IUPAC3-(dimethylsulfamoyl)-1H-indole-2-carboxamide;ethane;ethyl 1-(benzenesulfonyl)-3-chlorosulfonylindole-2-carboxylate;ethyl 1-(benzenesulfonyl)-3-(dimethylsulfamoyl)indole-2-carboxylate;methane;N-methylmethanamine
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CCOC(=O)c1c(S(=O)(=O)Cl)c2ccccc2n1S(=O)(=O)c1ccccc1.CCOC(=O)c1c(S(=O)(=O)N(C)C)c2ccccc2n1S(=O)(=O)c1ccccc1.CN(C)S(=O)(=O)c1c(C(N)=O)[nH]c2ccccc12.CNC
InChIInChI=1S/C19H20N2O6S2.C17H14ClNO6S2.C11H13N3O3S.C2H7N.8C2H6.CH4/c1-4-27-19(22)17-18(29(25,26)20(2)3)15-12-8-9-13-16(15)21(17)28(23,24)14-10-6-5-7-11-14;1-2-25-17(20)15-16(26(18,21)22)13-10-6-7-11-14(13)19(15)27(23,24)12-8-4-3-5-9-12;1-14(2)18(16,17)10-7-5-3-4-6-8(7)13-9(10)11(12)15;1-3-2;8*1-2;/h5-13H,4H2,1-3H3;3-11H,2H2,1H3;3-6,13H,1-2H3,(H2,12,15);3H,1-2H3;8*1-2H3;1H4
InChIKeyAWYHFXYVYTXRPC-UHFFFAOYSA-N
MW1433.40 g/mol
LogP14.49
Rot. Bonds14

About 3-(dimethylsulfamoyl)-1H-indole-2-carboxamide;ethane;ethyl 1-(benzenesulfonyl)-3-chlorosulfonylindole-2-carboxylate;ethyl 1-(benzenesulfonyl)-3-(dimethylsulfamoyl)indole-2-carboxylate;methane;N-methylmethanamine

3-(dimethylsulfamoyl)-1H-indole-2-carboxamide;ethane;ethyl 1-(benzenesulfonyl)-3-chlorosulfonylindole-2-carboxylate;ethyl 1-(benzenesulfonyl)-3-(dimethylsulfamoyl)indole-2-carboxylate;methane;N-methylmethanamine (PubChem CID 157256453) has the molecular formula C66H106ClN7O15S5 and a molecular weight of 1433.40 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-1H-indole-2-carboxamide;ethane;ethyl 1-(benzenesulfonyl)-3-chlorosulfonylindole-2-carboxylate;ethyl 1-(benzenesulfonyl)-3-(dimethylsulfamoyl)indole-2-carboxylate;methane;N-methylmethanamine.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-1H-indole-2-carboxamide;ethane;ethyl 1-(benzenesulfonyl)-3-chlorosulfonylindole-2-carboxylate;ethyl 1-(benzenesulfonyl)-3-(dimethylsulfamoyl)indole-2-carboxylate;methane;N-methylmethanamine
PubChem CID157256453
Molecular FormulaC66H106ClN7O15S5
Molecular Weight1433.40 g/mol
Exact Mass1431.60
IUPAC Name3-(dimethylsulfamoyl)-1H-indole-2-carboxamide;ethane;ethyl 1-(benzenesulfonyl)-3-chlorosulfonylindole-2-carboxylate;ethyl 1-(benzenesulfonyl)-3-(dimethylsulfamoyl)indole-2-carboxylate;methane;N-methylmethanamine
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CCOC(=O)c1c(S(=O)(=O)Cl)c2ccccc2n1S(=O)(=O)c1ccccc1.CCOC(=O)c1c(S(=O)(=O)N(C)C)c2ccccc2n1S(=O)(=O)c1ccccc1.CN(C)S(=O)(=O)c1c(C(N)=O)[nH]c2ccccc12.CNC
InChIInChI=1S/C19H20N2O6S2.C17H14ClNO6S2.C11H13N3O3S.C2H7N.8C2H6.CH4/c1-4-27-19(22)17-18(29(25,26)20(2)3)15-12-8-9-13-16(15)21(17)28(23,24)14-10-6-5-7-11-14;1-2-25-17(20)15-16(26(18,21)22)13-10-6-7-11-14(13)19(15)27(23,24)12-8-4-3-5-9-12;1-14(2)18(16,17)10-7-5-3-4-6-8(7)13-9(10)11(12)15;1-3-2;8*1-2;/h5-13H,4H2,1-3H3;3-11H,2H2,1H3;3-6,13H,1-2H3,(H2,12,15);3H,1-2H3;8*1-2H3;1H4
InChIKeyAWYHFXYVYTXRPC-UHFFFAOYSA-N
XLogP14.49
TPSA310.55 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001433.40
LogP ≤ 514.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-1H-indole-2-carboxamide;ethane;ethyl 1-(benzenesulfonyl)-3-chlorosulfonylindole-2-carboxylate;ethyl 1-(benzenesulfonyl)-3-(dimethylsulfamoyl)indole-2-carboxylate;methane;N-methylmethanamine?
The IUPAC name of 3-(dimethylsulfamoyl)-1H-indole-2-carboxamide;ethane;ethyl 1-(benzenesulfonyl)-3-chlorosulfonylindole-2-carboxylate;ethyl 1-(benzenesulfonyl)-3-(dimethylsulfamoyl)indole-2-carboxylate;methane;N-methylmethanamine (CID 157256453) is 3-(dimethylsulfamoyl)-1H-indole-2-carboxamide;ethane;ethyl 1-(benzenesulfonyl)-3-chlorosulfonylindole-2-carboxylate;ethyl 1-(benzenesulfonyl)-3-(dimethylsulfamoyl)indole-2-carboxylate;methane;N-methylmethanamine.
What is the SMILES notation for 3-(dimethylsulfamoyl)-1H-indole-2-carboxamide;ethane;ethyl 1-(benzenesulfonyl)-3-chlorosulfonylindole-2-carboxylate;ethyl 1-(benzenesulfonyl)-3-(dimethylsulfamoyl)indole-2-carboxylate;methane;N-methylmethanamine?
The canonical SMILES for 3-(dimethylsulfamoyl)-1H-indole-2-carboxamide;ethane;ethyl 1-(benzenesulfonyl)-3-chlorosulfonylindole-2-carboxylate;ethyl 1-(benzenesulfonyl)-3-(dimethylsulfamoyl)indole-2-carboxylate;methane;N-methylmethanamine is C.CC.CC.CC.CC.CC.CC.CC.CC.CCOC(=O)c1c(S(=O)(=O)Cl)c2ccccc2n1S(=O)(=O)c1ccccc1.CCOC(=O)c1c(S(=O)(=O)N(C)C)c2ccccc2n1S(=O)(=O)c1ccccc1.CN(C)S(=O)(=O)c1c(C(N)=O)[nH]c2ccccc12.CNC.
What is the InChIKey of 3-(dimethylsulfamoyl)-1H-indole-2-carboxamide;ethane;ethyl 1-(benzenesulfonyl)-3-chlorosulfonylindole-2-carboxylate;ethyl 1-(benzenesulfonyl)-3-(dimethylsulfamoyl)indole-2-carboxylate;methane;N-methylmethanamine?
The InChIKey is AWYHFXYVYTXRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S2.C17H14ClNO6S2.C11H13N3O3S.C2H7N.8C2H6.CH4/c1-4-27-19(22)17-18(29(25,26)20(2)3)15-12-8-9-13-16(15)21(17)28(23,24)14-10-6-5-7-11-14;1-2-25-17(20)15-16(26(18,21)22)13-10-6-7-11-14(13)19(15)27(23,24)12-8-4-3-5-9-12;1-14(2)18(16,17)10-7-5-3-4-6-8(7)13-9(10)11(12)15;1-3-2;8*1-2;/h5-13H,4H2,1-3H3;3-11H,2H2,1H3;3-6,13H,1-2H3,(H2,12,15);3H,1-2H3;8*1-2H3;1H4.
What are the key properties of 3-(dimethylsulfamoyl)-1H-indole-2-carboxamide;ethane;ethyl 1-(benzenesulfonyl)-3-chlorosulfonylindole-2-carboxylate;ethyl 1-(benzenesulfonyl)-3-(dimethylsulfamoyl)indole-2-carboxylate;methane;N-methylmethanamine?
3-(dimethylsulfamoyl)-1H-indole-2-carboxamide;ethane;ethyl 1-(benzenesulfonyl)-3-chlorosulfonylindole-2-carboxylate;ethyl 1-(benzenesulfonyl)-3-(dimethylsulfamoyl)indole-2-carboxylate;methane;N-methylmethanamine has a molecular weight of 1433.40 g/mol, XLogP of 14.49, 14 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-1H-indole-2-carboxamide;ethane;ethyl 1-(benzenesulfonyl)-3-chlorosulfonylindole-2-carboxylate;ethyl 1-(benzenesulfonyl)-3-(dimethylsulfamoyl)indole-2-carboxylate;methane;N-methylmethanamine is sourced from PubChem (CID 157256453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).