2-chloro-5-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-indole-6-carbonyl]benzenesulfonamide

C26H22ClN3O5S — CID 66850317

IUPAC2-chloro-5-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-indole-6-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)c2ccc3c(-c4ccc(C(=O)N5CCOCC5)cc4)c[nH]c3c2)ccc1Cl
InChIInChI=1S/C26H22ClN3O5S/c27-22-8-6-19(14-24(22)36(28,33)34)25(31)18-5-7-20-21(15-29-23(20)13-18)16-1-3-17(4-2-16)26(32)30-9-11-35-12-10-30/h1-8,13-15,29H,9-12H2,(H2,28,33,34)
InChIKeyJIIYSRLKIWROFO-UHFFFAOYSA-N
MW524.00 g/mol
LogP3.84
Rot. Bonds5

About 2-chloro-5-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-indole-6-carbonyl]benzenesulfonamide

2-chloro-5-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-indole-6-carbonyl]benzenesulfonamide (PubChem CID 66850317) has the molecular formula C26H22ClN3O5S and a molecular weight of 524.00 g/mol. Its IUPAC name is 2-chloro-5-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-indole-6-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-indole-6-carbonyl]benzenesulfonamide
PubChem CID66850317
Molecular FormulaC26H22ClN3O5S
Molecular Weight524.00 g/mol
Exact Mass523.10
IUPAC Name2-chloro-5-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-indole-6-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)c2ccc3c(-c4ccc(C(=O)N5CCOCC5)cc4)c[nH]c3c2)ccc1Cl
InChIInChI=1S/C26H22ClN3O5S/c27-22-8-6-19(14-24(22)36(28,33)34)25(31)18-5-7-20-21(15-29-23(20)13-18)16-1-3-17(4-2-16)26(32)30-9-11-35-12-10-30/h1-8,13-15,29H,9-12H2,(H2,28,33,34)
InChIKeyJIIYSRLKIWROFO-UHFFFAOYSA-N
XLogP3.84
TPSA122.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.00
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-(3-phenyl-1H-indole-6-carbonyl)benzenesulfonamide
CID 58107485
2-chloro-5-[3-(2-chloro-4-pyridinyl)-1H-indole-6-carbonyl]benzenesulfonamide
CID 87178887
5-[3-(5-acetylthiophen-2-yl)-1H-indole-6-carbonyl]-2-chlorobenzenesulfonamide
CID 66850404
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 26583462
3-chloro-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 65375991
(4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone
CID 110675198
2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide
CID 58107414
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9081742
2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide
CID 58107415
tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)benzoyl]piperazine-1-carboxylate
CID 135285743
2,5-dichloro-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 65375063

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-indole-6-carbonyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-indole-6-carbonyl]benzenesulfonamide (CID 66850317) is 2-chloro-5-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-indole-6-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-indole-6-carbonyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-indole-6-carbonyl]benzenesulfonamide is NS(=O)(=O)c1cc(C(=O)c2ccc3c(-c4ccc(C(=O)N5CCOCC5)cc4)c[nH]c3c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-indole-6-carbonyl]benzenesulfonamide?
The InChIKey is JIIYSRLKIWROFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O5S/c27-22-8-6-19(14-24(22)36(28,33)34)25(31)18-5-7-20-21(15-29-23(20)13-18)16-1-3-17(4-2-16)26(32)30-9-11-35-12-10-30/h1-8,13-15,29H,9-12H2,(H2,28,33,34).
What are the key properties of 2-chloro-5-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-indole-6-carbonyl]benzenesulfonamide?
2-chloro-5-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-indole-6-carbonyl]benzenesulfonamide has a molecular weight of 524.00 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-indole-6-carbonyl]benzenesulfonamide is sourced from PubChem (CID 66850317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).