6-chloro-N-(6-methoxy-1,2-benzoxazol-3-yl)-1H-indole-3-sulfonamide

C16H12ClN3O4S — CID 167940139

IUPAC6-chloro-N-(6-methoxy-1,2-benzoxazol-3-yl)-1H-indole-3-sulfonamide
SMILESCOc1ccc2c(NS(=O)(=O)c3c[nH]c4cc(Cl)ccc34)noc2c1
InChIInChI=1S/C16H12ClN3O4S/c1-23-10-3-5-12-14(7-10)24-19-16(12)20-25(21,22)15-8-18-13-6-9(17)2-4-11(13)15/h2-8,18H,1H3,(H,19,20)
InChIKeyGQGFAXUIXQWVHO-UHFFFAOYSA-N
MW377.81 g/mol
LogP3.77
Rot. Bonds4

About 6-chloro-N-(6-methoxy-1,2-benzoxazol-3-yl)-1H-indole-3-sulfonamide

6-chloro-N-(6-methoxy-1,2-benzoxazol-3-yl)-1H-indole-3-sulfonamide (PubChem CID 167940139) has the molecular formula C16H12ClN3O4S and a molecular weight of 377.81 g/mol. Its IUPAC name is 6-chloro-N-(6-methoxy-1,2-benzoxazol-3-yl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(6-methoxy-1,2-benzoxazol-3-yl)-1H-indole-3-sulfonamide
PubChem CID167940139
Molecular FormulaC16H12ClN3O4S
Molecular Weight377.81 g/mol
Exact Mass377.02
IUPAC Name6-chloro-N-(6-methoxy-1,2-benzoxazol-3-yl)-1H-indole-3-sulfonamide
SMILESCOc1ccc2c(NS(=O)(=O)c3c[nH]c4cc(Cl)ccc34)noc2c1
InChIInChI=1S/C16H12ClN3O4S/c1-23-10-3-5-12-14(7-10)24-19-16(12)20-25(21,22)15-8-18-13-6-9(17)2-4-11(13)15/h2-8,18H,1H3,(H,19,20)
InChIKeyGQGFAXUIXQWVHO-UHFFFAOYSA-N
XLogP3.77
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.81
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide
CID 176710664
N-(5-bromo-4-methoxypyrimidin-2-yl)-6-chloro-1H-indole-3-sulfonamide
CID 169225707
6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164907990
6-chloro-N-[5-(cyanomethyl)-3-methoxy-2-pyridinyl]-1H-indole-3-sulfonamide
CID 135201440
6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide
CID 176711099
N-[5-bromo-4-(1,1-difluoroethyl)-6-methoxypyrimidin-2-yl]-6-chloro-1H-indole-3-sulfonamide
CID 164908387
6-chloro-N-(4-ethyl-6-methoxy-5-methylpyrimidin-2-yl)-1H-indole-3-sulfonamide
CID 164907841
6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide
CID 146278102
6-chloro-N-[5-(3-fluoropropoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164908450
6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide
CID 176710724
6-chloro-N-(5-ethenyl-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide
CID 135201227
6-chloro-N-[5-chloro-3-fluoro-6-(fluoromethyl)-2-pyridinyl]-1H-indole-3-sulfonamide
CID 135191791

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(6-methoxy-1,2-benzoxazol-3-yl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(6-methoxy-1,2-benzoxazol-3-yl)-1H-indole-3-sulfonamide (CID 167940139) is 6-chloro-N-(6-methoxy-1,2-benzoxazol-3-yl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(6-methoxy-1,2-benzoxazol-3-yl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(6-methoxy-1,2-benzoxazol-3-yl)-1H-indole-3-sulfonamide is COc1ccc2c(NS(=O)(=O)c3c[nH]c4cc(Cl)ccc34)noc2c1.
What is the InChIKey of 6-chloro-N-(6-methoxy-1,2-benzoxazol-3-yl)-1H-indole-3-sulfonamide?
The InChIKey is GQGFAXUIXQWVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O4S/c1-23-10-3-5-12-14(7-10)24-19-16(12)20-25(21,22)15-8-18-13-6-9(17)2-4-11(13)15/h2-8,18H,1H3,(H,19,20).
What are the key properties of 6-chloro-N-(6-methoxy-1,2-benzoxazol-3-yl)-1H-indole-3-sulfonamide?
6-chloro-N-(6-methoxy-1,2-benzoxazol-3-yl)-1H-indole-3-sulfonamide has a molecular weight of 377.81 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(6-methoxy-1,2-benzoxazol-3-yl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 167940139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).