4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfamoylbenzamide;2-pyridin-2-ylpyridine

C26H24ClN5O3S — CID 139204994

IUPAC4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfamoylbenzamide;2-pyridin-2-ylpyridine
SMILESC[C@@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C16H16ClN3O3S.C10H8N2/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23;1-3-7-11-9(5-1)10-6-2-4-8-12-10/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23);1-8H/t10-;/m1./s1
InChIKeyBVWHJGMXTQUBKJ-HNCPQSOCSA-N
MW522.03 g/mol
LogP4.23
Rot. Bonds4

About 4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfamoylbenzamide;2-pyridin-2-ylpyridine

4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfamoylbenzamide;2-pyridin-2-ylpyridine (PubChem CID 139204994) has the molecular formula C26H24ClN5O3S and a molecular weight of 522.03 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfamoylbenzamide;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfamoylbenzamide;2-pyridin-2-ylpyridine
PubChem CID139204994
Molecular FormulaC26H24ClN5O3S
Molecular Weight522.03 g/mol
Exact Mass521.13
IUPAC Name4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfamoylbenzamide;2-pyridin-2-ylpyridine
SMILESC[C@@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C16H16ClN3O3S.C10H8N2/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23;1-3-7-11-9(5-1)10-6-2-4-8-12-10/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23);1-8H/t10-;/m1./s1
InChIKeyBVWHJGMXTQUBKJ-HNCPQSOCSA-N
XLogP4.23
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.03
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 4879324
(2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide
CID 24994900
N-[(Z)-[4-[[[2-chloro-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]carbamoyl]phenyl]sulfonylamino]methyl]benzoyl]oxymethoxydiazenyl]-N-ethylethanamine oxide
CID 87371658
4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185
2-chloro-N-cyclopropyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 42892758
(Z)-[4-[[[2-chloro-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]carbamoyl]phenyl]sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoyl]oxymethoxyimino-(diethylamino)-oxidoazanium
CID 87452682
(Z)-[2-[[[2-chloro-5-[(2-methyl-2,3-dihydroindol-1-yl)carbamoyl]phenyl]sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoyl]oxymethoxyimino-(diethylamino)-oxidoazanium
CID 87452399
4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 55524756
2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60637659
(2-methyl-2,3-dihydroindol-1-yl)-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 46533643
4-chloro-3-sulfamoyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79360203
(2,6-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63373065

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfamoylbenzamide;2-pyridin-2-ylpyridine?
The IUPAC name of 4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfamoylbenzamide;2-pyridin-2-ylpyridine (CID 139204994) is 4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfamoylbenzamide;2-pyridin-2-ylpyridine.
What is the SMILES notation for 4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfamoylbenzamide;2-pyridin-2-ylpyridine?
The canonical SMILES for 4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfamoylbenzamide;2-pyridin-2-ylpyridine is C[C@@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfamoylbenzamide;2-pyridin-2-ylpyridine?
The InChIKey is BVWHJGMXTQUBKJ-HNCPQSOCSA-N. The full InChI is InChI=1S/C16H16ClN3O3S.C10H8N2/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23;1-3-7-11-9(5-1)10-6-2-4-8-12-10/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23);1-8H/t10-;/m1./s1.
What are the key properties of 4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfamoylbenzamide;2-pyridin-2-ylpyridine?
4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfamoylbenzamide;2-pyridin-2-ylpyridine has a molecular weight of 522.03 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfamoylbenzamide;2-pyridin-2-ylpyridine is sourced from PubChem (CID 139204994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).