N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

C24H24ClN3O5S2 — CID 100790258

IUPACN-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1
InChIInChI=1S/C24H24ClN3O5S2/c1-17-3-9-21(10-4-17)34(30,31)27(2)16-24(29)26-20-8-5-18-13-14-28(23(18)15-20)35(32,33)22-11-6-19(25)7-12-22/h3-12,15H,13-14,16H2,1-2H3,(H,26,29)
InChIKeyYOMJXXSFRYRLIQ-UHFFFAOYSA-N
MW534.06 g/mol
LogP3.66
Rot. Bonds7

About N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 100790258) has the molecular formula C24H24ClN3O5S2 and a molecular weight of 534.06 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID100790258
Molecular FormulaC24H24ClN3O5S2
Molecular Weight534.06 g/mol
Exact Mass533.08
IUPAC NameN-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1
InChIInChI=1S/C24H24ClN3O5S2/c1-17-3-9-21(10-4-17)34(30,31)27(2)16-24(29)26-20-8-5-18-13-14-28(23(18)15-20)35(32,33)22-11-6-19(25)7-12-22/h3-12,15H,13-14,16H2,1-2H3,(H,26,29)
InChIKeyYOMJXXSFRYRLIQ-UHFFFAOYSA-N
XLogP3.66
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.06
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 100794243
N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetamide
CID 100793868
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide
CID 100787371
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide
CID 100790609
1-(3-chloro-4-methylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-6-yl]urea
CID 46386031
N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide
CID 7586748
1-(4-chlorophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2,3-dihydroindole-5-carboxamide
CID 100765353
3-chloro-2,2-dimethyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide
CID 7517776
N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 100799321
N-(9H-fluoren-2-yl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 24658365
N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide
CID 43990369
(3S)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784066

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 100790258) is N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is YOMJXXSFRYRLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O5S2/c1-17-3-9-21(10-4-17)34(30,31)27(2)16-24(29)26-20-8-5-18-13-14-28(23(18)15-20)35(32,33)22-11-6-19(25)7-12-22/h3-12,15H,13-14,16H2,1-2H3,(H,26,29).
What are the key properties of N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 534.06 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 100790258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).