(3R)-N-[(2-chlorophenyl)methyl]-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide

C17H17ClN2O3S — CID 9188492

IUPAC(3R)-N-[(2-chlorophenyl)methyl]-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESC[C@H]1C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3Cl)cc21
InChIInChI=1S/C17H17ClN2O3S/c1-11-14-9-13(7-8-16(14)19-17(11)21)24(22,23)20(2)10-12-5-3-4-6-15(12)18/h3-9,11H,10H2,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyHRBZHZJNAXISOL-LLVKDONJSA-N
MW364.85 g/mol
LogP3.22
Rot. Bonds4

About (3R)-N-[(2-chlorophenyl)methyl]-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide

(3R)-N-[(2-chlorophenyl)methyl]-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 9188492) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is (3R)-N-[(2-chlorophenyl)methyl]-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[(2-chlorophenyl)methyl]-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID9188492
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name(3R)-N-[(2-chlorophenyl)methyl]-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESC[C@H]1C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3Cl)cc21
InChIInChI=1S/C17H17ClN2O3S/c1-11-14-9-13(7-8-16(14)19-17(11)21)24(22,23)20(2)10-12-5-3-4-6-15(12)18/h3-9,11H,10H2,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyHRBZHZJNAXISOL-LLVKDONJSA-N
XLogP3.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9187654
(3S)-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188617
(3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 9190933
N-(3-aminopropyl)-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 115318993
N,N-diethyl-2-[methyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]acetamide
CID 9188873
3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 37497114
3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167
4-bromo-N-[(2-chlorophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697187
(3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide
CID 9186128
N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 7510019
(3R)-N-benzyl-N-(2-methoxyethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188424
N-(3-methoxyphenyl)-2-[methyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]acetamide
CID 9188603

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-chlorophenyl)methyl]-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of (3R)-N-[(2-chlorophenyl)methyl]-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 9188492) is (3R)-N-[(2-chlorophenyl)methyl]-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (3R)-N-[(2-chlorophenyl)methyl]-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (3R)-N-[(2-chlorophenyl)methyl]-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide is C[C@H]1C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3Cl)cc21.
What is the InChIKey of (3R)-N-[(2-chlorophenyl)methyl]-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is HRBZHZJNAXISOL-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-11-14-9-13(7-8-16(14)19-17(11)21)24(22,23)20(2)10-12-5-3-4-6-15(12)18/h3-9,11H,10H2,1-2H3,(H,19,21)/t11-/m1/s1.
What are the key properties of (3R)-N-[(2-chlorophenyl)methyl]-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
(3R)-N-[(2-chlorophenyl)methyl]-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 364.85 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-chlorophenyl)methyl]-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 9188492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).