N-(3-chloro-4-methylphenyl)-2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide

C26H27ClN2O4S — CID 100797059

IUPACN-(3-chloro-4-methylphenyl)-2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1c2ccccc2C[C@@H]1C)c1ccc(C)c(Cl)c1
InChIInChI=1S/C26H27ClN2O4S/c1-17-9-12-24(33-4)25(13-17)34(31,32)28(21-11-10-18(2)22(27)15-21)16-26(30)29-19(3)14-20-7-5-6-8-23(20)29/h5-13,15,19H,14,16H2,1-4H3/t19-/m0/s1
InChIKeyDLWLAHBWKCQZPW-IBGZPJMESA-N
MW499.03 g/mol
LogP5.14
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide

N-(3-chloro-4-methylphenyl)-2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 100797059) has the molecular formula C26H27ClN2O4S and a molecular weight of 499.03 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID100797059
Molecular FormulaC26H27ClN2O4S
Molecular Weight499.03 g/mol
Exact Mass498.14
IUPAC NameN-(3-chloro-4-methylphenyl)-2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1c2ccccc2C[C@@H]1C)c1ccc(C)c(Cl)c1
InChIInChI=1S/C26H27ClN2O4S/c1-17-9-12-24(33-4)25(13-17)34(31,32)28(21-11-10-18(2)22(27)15-21)16-26(30)29-19(3)14-20-7-5-6-8-23(20)29/h5-13,15,19H,14,16H2,1-4H3/t19-/m0/s1
InChIKeyDLWLAHBWKCQZPW-IBGZPJMESA-N
XLogP5.14
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.03
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 100795964
4-methoxy-3-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 43900251
5-chloro-2-methoxy-N-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 125047772
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(4-methoxyphenyl)-N-methylacetamide
CID 100797108
(2R)-4-[2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetyl]-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 125050587
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-methoxyphenyl)-N-methylacetamide
CID 100797112
2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 2992480
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 100797053
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-methoxy-5-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 1251467
3-chloro-N-ethyl-4-methoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 125049653
[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 100800165
4-chloro-N-(4-methoxyphenyl)-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide
CID 25376534

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide (CID 100797059) is N-(3-chloro-4-methylphenyl)-2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1c2ccccc2C[C@@H]1C)c1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is DLWLAHBWKCQZPW-IBGZPJMESA-N. The full InChI is InChI=1S/C26H27ClN2O4S/c1-17-9-12-24(33-4)25(13-17)34(31,32)28(21-11-10-18(2)22(27)15-21)16-26(30)29-19(3)14-20-7-5-6-8-23(20)29/h5-13,15,19H,14,16H2,1-4H3/t19-/m0/s1.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
N-(3-chloro-4-methylphenyl)-2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 499.03 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 100797059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).