N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C21H22ClN3O4S — CID 55727033

IUPACN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)N3CCCC3)ccc21
InChIInChI=1S/C21H22ClN3O4S/c1-30(28,29)25-11-8-14-12-15(4-7-19(14)25)20(26)23-18-6-5-16(22)13-17(18)21(27)24-9-2-3-10-24/h4-7,12-13H,2-3,8-11H2,1H3,(H,23,26)
InChIKeySKRWYWGGBHLBLO-UHFFFAOYSA-N
MW447.94 g/mol
LogP3.15
Rot. Bonds4

About N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55727033) has the molecular formula C21H22ClN3O4S and a molecular weight of 447.94 g/mol. Its IUPAC name is N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID55727033
Molecular FormulaC21H22ClN3O4S
Molecular Weight447.94 g/mol
Exact Mass447.10
IUPAC NameN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)N3CCCC3)ccc21
InChIInChI=1S/C21H22ClN3O4S/c1-30(28,29)25-11-8-14-12-15(4-7-19(14)25)20(26)23-18-6-5-16(22)13-17(18)21(27)24-9-2-3-10-24/h4-7,12-13H,2-3,8-11H2,1H3,(H,23,26)
InChIKeySKRWYWGGBHLBLO-UHFFFAOYSA-N
XLogP3.15
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.94
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085733
(1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone
CID 4267246
N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 28544124
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide
CID 55776820
1-methylsulfonyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 24761444
3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506190
N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide
CID 49191872
N-(4-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085722
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 55726971
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55383141
N-(4-tert-butylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 18776410
N-(2-fluoro-4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160429

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 55727033) is N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)N3CCCC3)ccc21.
What is the InChIKey of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is SKRWYWGGBHLBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4S/c1-30(28,29)25-11-8-14-12-15(4-7-19(14)25)20(26)23-18-6-5-16(22)13-17(18)21(27)24-9-2-3-10-24/h4-7,12-13H,2-3,8-11H2,1H3,(H,23,26).
What are the key properties of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 447.94 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55727033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).