5-chloro-3-[methyl(oxan-2-ylmethyl)sulfamoyl]-1H-indole-2-carboxamide

C16H20ClN3O4S — CID 10385429

IUPAC5-chloro-3-[methyl(oxan-2-ylmethyl)sulfamoyl]-1H-indole-2-carboxamide
SMILESCN(CC1CCCCO1)S(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H20ClN3O4S/c1-20(9-11-4-2-3-7-24-11)25(22,23)15-12-8-10(17)5-6-13(12)19-14(15)16(18)21/h5-6,8,11,19H,2-4,7,9H2,1H3,(H2,18,21)
InChIKeyVYEXCPDTRJWCNT-UHFFFAOYSA-N
MW385.87 g/mol
LogP2.11
Rot. Bonds5

About 5-chloro-3-[methyl(oxan-2-ylmethyl)sulfamoyl]-1H-indole-2-carboxamide

5-chloro-3-[methyl(oxan-2-ylmethyl)sulfamoyl]-1H-indole-2-carboxamide (PubChem CID 10385429) has the molecular formula C16H20ClN3O4S and a molecular weight of 385.87 g/mol. Its IUPAC name is 5-chloro-3-[methyl(oxan-2-ylmethyl)sulfamoyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[methyl(oxan-2-ylmethyl)sulfamoyl]-1H-indole-2-carboxamide
PubChem CID10385429
Molecular FormulaC16H20ClN3O4S
Molecular Weight385.87 g/mol
Exact Mass385.09
IUPAC Name5-chloro-3-[methyl(oxan-2-ylmethyl)sulfamoyl]-1H-indole-2-carboxamide
SMILESCN(CC1CCCCO1)S(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H20ClN3O4S/c1-20(9-11-4-2-3-7-24-11)25(22,23)15-12-8-10(17)5-6-13(12)19-14(15)16(18)21/h5-6,8,11,19H,2-4,7,9H2,1H3,(H2,18,21)
InChIKeyVYEXCPDTRJWCNT-UHFFFAOYSA-N
XLogP2.11
TPSA105.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[methyl(oxan-2-ylmethyl)sulfamoyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-[methyl(oxan-2-ylmethyl)sulfamoyl]-1H-indole-2-carboxamide (CID 10385429) is 5-chloro-3-[methyl(oxan-2-ylmethyl)sulfamoyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[methyl(oxan-2-ylmethyl)sulfamoyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-[methyl(oxan-2-ylmethyl)sulfamoyl]-1H-indole-2-carboxamide is CN(CC1CCCCO1)S(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-[methyl(oxan-2-ylmethyl)sulfamoyl]-1H-indole-2-carboxamide?
The InChIKey is VYEXCPDTRJWCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4S/c1-20(9-11-4-2-3-7-24-11)25(22,23)15-12-8-10(17)5-6-13(12)19-14(15)16(18)21/h5-6,8,11,19H,2-4,7,9H2,1H3,(H2,18,21).
What are the key properties of 5-chloro-3-[methyl(oxan-2-ylmethyl)sulfamoyl]-1H-indole-2-carboxamide?
5-chloro-3-[methyl(oxan-2-ylmethyl)sulfamoyl]-1H-indole-2-carboxamide has a molecular weight of 385.87 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[methyl(oxan-2-ylmethyl)sulfamoyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10385429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).