N-butyl-2-(3-chlorophenyl)sulfanyl-5-(2,3-dihydroindol-1-ylsulfonyl)benzamide

C25H25ClN2O3S2 — CID 5223234

IUPACN-butyl-2-(3-chlorophenyl)sulfanyl-5-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESCCCCNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1Sc1cccc(Cl)c1
InChIInChI=1S/C25H25ClN2O3S2/c1-2-3-14-27-25(29)22-17-21(11-12-24(22)32-20-9-6-8-19(26)16-20)33(30,31)28-15-13-18-7-4-5-10-23(18)28/h4-12,16-17H,2-3,13-15H2,1H3,(H,27,29)
InChIKeyTUJOJTGONFWJJS-UHFFFAOYSA-N
MW501.07 g/mol
LogP5.77
Rot. Bonds8

About N-butyl-2-(3-chlorophenyl)sulfanyl-5-(2,3-dihydroindol-1-ylsulfonyl)benzamide

N-butyl-2-(3-chlorophenyl)sulfanyl-5-(2,3-dihydroindol-1-ylsulfonyl)benzamide (PubChem CID 5223234) has the molecular formula C25H25ClN2O3S2 and a molecular weight of 501.07 g/mol. Its IUPAC name is N-butyl-2-(3-chlorophenyl)sulfanyl-5-(2,3-dihydroindol-1-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-butyl-2-(3-chlorophenyl)sulfanyl-5-(2,3-dihydroindol-1-ylsulfonyl)benzamide
PubChem CID5223234
Molecular FormulaC25H25ClN2O3S2
Molecular Weight501.07 g/mol
Exact Mass500.10
IUPAC NameN-butyl-2-(3-chlorophenyl)sulfanyl-5-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESCCCCNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1Sc1cccc(Cl)c1
InChIInChI=1S/C25H25ClN2O3S2/c1-2-3-14-27-25(29)22-17-21(11-12-24(22)32-20-9-6-8-19(26)16-20)33(30,31)28-15-13-18-7-4-5-10-23(18)28/h4-12,16-17H,2-3,13-15H2,1H3,(H,27,29)
InChIKeyTUJOJTGONFWJJS-UHFFFAOYSA-N
XLogP5.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.07
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 18106238
N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608850
1-(4-chlorophenyl)sulfonyl-N-pentyl-2,3-dihydroindole-5-carboxamide
CID 23608866
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-pentylacetamide
CID 5114863
5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 4564323
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(3-phenylmethoxypropyl)benzamide
CID 33041380
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide
CID 23608848
N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
2,4-dichloro-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]benzamide
CID 1010318
5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 9224536
N-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
CID 109061427

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-chlorophenyl)sulfanyl-5-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The IUPAC name of N-butyl-2-(3-chlorophenyl)sulfanyl-5-(2,3-dihydroindol-1-ylsulfonyl)benzamide (CID 5223234) is N-butyl-2-(3-chlorophenyl)sulfanyl-5-(2,3-dihydroindol-1-ylsulfonyl)benzamide.
What is the SMILES notation for N-butyl-2-(3-chlorophenyl)sulfanyl-5-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The canonical SMILES for N-butyl-2-(3-chlorophenyl)sulfanyl-5-(2,3-dihydroindol-1-ylsulfonyl)benzamide is CCCCNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1Sc1cccc(Cl)c1.
What is the InChIKey of N-butyl-2-(3-chlorophenyl)sulfanyl-5-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The InChIKey is TUJOJTGONFWJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3S2/c1-2-3-14-27-25(29)22-17-21(11-12-24(22)32-20-9-6-8-19(26)16-20)33(30,31)28-15-13-18-7-4-5-10-23(18)28/h4-12,16-17H,2-3,13-15H2,1H3,(H,27,29).
What are the key properties of N-butyl-2-(3-chlorophenyl)sulfanyl-5-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
N-butyl-2-(3-chlorophenyl)sulfanyl-5-(2,3-dihydroindol-1-ylsulfonyl)benzamide has a molecular weight of 501.07 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-chlorophenyl)sulfanyl-5-(2,3-dihydroindol-1-ylsulfonyl)benzamide is sourced from PubChem (CID 5223234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).