N-chloro-1H-indole-3-sulfonamide

C8H7ClN2O2S — CID 90719858

IUPACN-chloro-1H-indole-3-sulfonamide
SMILESO=S(=O)(NCl)c1c[nH]c2ccccc12
InChIInChI=1S/C8H7ClN2O2S/c9-11-14(12,13)8-5-10-7-4-2-1-3-6(7)8/h1-5,10-11H
InChIKeyMWYBENGEKFEOPA-UHFFFAOYSA-N
MW230.68 g/mol
LogP1.60
Rot. Bonds2

About N-chloro-1H-indole-3-sulfonamide

N-chloro-1H-indole-3-sulfonamide (PubChem CID 90719858) has the molecular formula C8H7ClN2O2S and a molecular weight of 230.68 g/mol. Its IUPAC name is N-chloro-1H-indole-3-sulfonamide.

Molecular Properties

Compound NameN-chloro-1H-indole-3-sulfonamide
PubChem CID90719858
Molecular FormulaC8H7ClN2O2S
Molecular Weight230.68 g/mol
Exact Mass229.99
IUPAC NameN-chloro-1H-indole-3-sulfonamide
SMILESO=S(=O)(NCl)c1c[nH]c2ccccc12
InChIInChI=1S/C8H7ClN2O2S/c9-11-14(12,13)8-5-10-7-4-2-1-3-6(7)8/h1-5,10-11H
InChIKeyMWYBENGEKFEOPA-UHFFFAOYSA-N
XLogP1.60
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.68
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1H-indole-3-sulfonohydrazide
CID 82284140
N-(2-aminoethyl)-1H-indole-3-sulfonamide
CID 82292478
3-methylsulfonyl-1H-indole
CID 86767790
2-(1H-indol-3-ylsulfonylamino)propanoic acid
CID 82487562
tert-butyl N-(1H-indol-3-ylsulfonyl)carbamate
CID 86620846
4,4-difluoro-3-(1H-indol-3-ylsulfonylamino)-3-methylbutanoic acid
CID 166289280
2-acetamido-N-(1H-indol-3-ylsulfonyl)-4-methylpentanamide
CID 167936324
2-(1H-indol-3-ylsulfonyl)-N,2-dimethylpropan-1-amine;molecular hydrogen
CID 166081963
1H-indole;3-methylsulfonyl-1H-indole
CID 167634446
3-(benzenesulfonyl)-1H-quinolin-4-one
CID 6619653
N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide
CID 35539650
3-(1H-indol-3-ylsulfonyl)-2,2-dimethylpropan-1-ol
CID 116853109

Frequently Asked Questions

What is the IUPAC name of N-chloro-1H-indole-3-sulfonamide?
The IUPAC name of N-chloro-1H-indole-3-sulfonamide (CID 90719858) is N-chloro-1H-indole-3-sulfonamide.
What is the SMILES notation for N-chloro-1H-indole-3-sulfonamide?
The canonical SMILES for N-chloro-1H-indole-3-sulfonamide is O=S(=O)(NCl)c1c[nH]c2ccccc12.
What is the InChIKey of N-chloro-1H-indole-3-sulfonamide?
The InChIKey is MWYBENGEKFEOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2S/c9-11-14(12,13)8-5-10-7-4-2-1-3-6(7)8/h1-5,10-11H.
What are the key properties of N-chloro-1H-indole-3-sulfonamide?
N-chloro-1H-indole-3-sulfonamide has a molecular weight of 230.68 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1H-indole-3-sulfonamide is sourced from PubChem (CID 90719858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).