5-amino-N-(3-chloro-2-pyridinyl)-1H-indole-3-sulfonamide

C13H11ClN4O2S — CID 103093895

IUPAC5-amino-N-(3-chloro-2-pyridinyl)-1H-indole-3-sulfonamide
SMILESNc1ccc2[nH]cc(S(=O)(=O)Nc3ncccc3Cl)c2c1
InChIInChI=1S/C13H11ClN4O2S/c14-10-2-1-5-16-13(10)18-21(19,20)12-7-17-11-4-3-8(15)6-9(11)12/h1-7,17H,15H2,(H,16,18)
InChIKeyCVYPQDNQUYZIRF-UHFFFAOYSA-N
MW322.78 g/mol
LogP2.60
Rot. Bonds3

About 5-amino-N-(3-chloro-2-pyridinyl)-1H-indole-3-sulfonamide

5-amino-N-(3-chloro-2-pyridinyl)-1H-indole-3-sulfonamide (PubChem CID 103093895) has the molecular formula C13H11ClN4O2S and a molecular weight of 322.78 g/mol. Its IUPAC name is 5-amino-N-(3-chloro-2-pyridinyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-chloro-2-pyridinyl)-1H-indole-3-sulfonamide
PubChem CID103093895
Molecular FormulaC13H11ClN4O2S
Molecular Weight322.78 g/mol
Exact Mass322.03
IUPAC Name5-amino-N-(3-chloro-2-pyridinyl)-1H-indole-3-sulfonamide
SMILESNc1ccc2[nH]cc(S(=O)(=O)Nc3ncccc3Cl)c2c1
InChIInChI=1S/C13H11ClN4O2S/c14-10-2-1-5-16-13(10)18-21(19,20)12-7-17-11-4-3-8(15)6-9(11)12/h1-7,17H,15H2,(H,16,18)
InChIKeyCVYPQDNQUYZIRF-UHFFFAOYSA-N
XLogP2.60
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-chloro-3-pyridinyl)-1H-indole-3-sulfonamide
CID 64851484
5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103093986
4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 103093928
4-amino-N-(3-chloro-2-pyridinyl)-2-cyanobenzenesulfonamide
CID 103093927
5-amino-N-(5-methyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide
CID 64851493
5-amino-N-(4-fluorophenyl)-1H-indole-3-sulfonamide
CID 64853032
5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 103093987
5-amino-N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 103093919
5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-3-sulfonamide
CID 64851285
5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide
CID 65103687
5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide
CID 64852272
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-indole-3-sulfonamide
CID 64851872

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-chloro-2-pyridinyl)-1H-indole-3-sulfonamide?
The IUPAC name of 5-amino-N-(3-chloro-2-pyridinyl)-1H-indole-3-sulfonamide (CID 103093895) is 5-amino-N-(3-chloro-2-pyridinyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 5-amino-N-(3-chloro-2-pyridinyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 5-amino-N-(3-chloro-2-pyridinyl)-1H-indole-3-sulfonamide is Nc1ccc2[nH]cc(S(=O)(=O)Nc3ncccc3Cl)c2c1.
What is the InChIKey of 5-amino-N-(3-chloro-2-pyridinyl)-1H-indole-3-sulfonamide?
The InChIKey is CVYPQDNQUYZIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2S/c14-10-2-1-5-16-13(10)18-21(19,20)12-7-17-11-4-3-8(15)6-9(11)12/h1-7,17H,15H2,(H,16,18).
What are the key properties of 5-amino-N-(3-chloro-2-pyridinyl)-1H-indole-3-sulfonamide?
5-amino-N-(3-chloro-2-pyridinyl)-1H-indole-3-sulfonamide has a molecular weight of 322.78 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-chloro-2-pyridinyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 103093895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).