2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide

C14H20ClN3O4S — CID 55406988

IUPAC2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCCNC(=O)CNC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl
InChIInChI=1S/C14H20ClN3O4S/c1-4-16-13(19)8-17-14(20)11-7-10(5-6-12(11)15)23(21,22)18-9(2)3/h5-7,9,18H,4,8H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyKFDBNZYFYXWRNA-UHFFFAOYSA-N
MW361.85 g/mol
LogP0.89
Rot. Bonds7

About 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide

2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 55406988) has the molecular formula C14H20ClN3O4S and a molecular weight of 361.85 g/mol. Its IUPAC name is 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID55406988
Molecular FormulaC14H20ClN3O4S
Molecular Weight361.85 g/mol
Exact Mass361.09
IUPAC Name2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCCNC(=O)CNC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl
InChIInChI=1S/C14H20ClN3O4S/c1-4-16-13(19)8-17-14(20)11-7-10(5-6-12(11)15)23(21,22)18-9(2)3/h5-7,9,18H,4,8H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyKFDBNZYFYXWRNA-UHFFFAOYSA-N
XLogP0.89
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide
CID 51316610
2-chloro-5-methylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 34141661
N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 51285596
2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052685
2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9301375
2-chloro-N-cyclohexyl-5-(propan-2-ylsulfamoyl)benzamide
CID 51160947
2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide
CID 30839055
N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 34756542
2-chloro-N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 56578163
N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 60549183
2-chloro-N-[(2-phenylmethoxyphenyl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55806149
3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 34056891

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide (CID 55406988) is 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide is CCNC(=O)CNC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is KFDBNZYFYXWRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O4S/c1-4-16-13(19)8-17-14(20)11-7-10(5-6-12(11)15)23(21,22)18-9(2)3/h5-7,9,18H,4,8H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide?
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 361.85 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 55406988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).