3-chloro-N-[4-(3-cyclopropylmorpholine-4-carbonyl)cyclohexyl]-2-[4-(2-methoxyethyl)phenyl]-1H-indole-6-sulfonamide

C31H38ClN3O5S — CID 90096579

IUPAC3-chloro-N-[4-(3-cyclopropylmorpholine-4-carbonyl)cyclohexyl]-2-[4-(2-methoxyethyl)phenyl]-1H-indole-6-sulfonamide
SMILESCOCCc1ccc(-c2[nH]c3cc(S(=O)(=O)NC4CCC(C(=O)N5CCOCC5C5CC5)CC4)ccc3c2Cl)cc1
InChIInChI=1S/C31H38ClN3O5S/c1-39-16-14-20-2-4-22(5-3-20)30-29(32)26-13-12-25(18-27(26)33-30)41(37,38)34-24-10-8-23(9-11-24)31(36)35-15-17-40-19-28(35)21-6-7-21/h2-5,12-13,18,21,23-24,28,33-34H,6-11,14-17,19H2,1H3
InChIKeyLFQMXFPXJXVCTH-UHFFFAOYSA-N
MW600.18 g/mol
LogP5.15
Rot. Bonds9

About 3-chloro-N-[4-(3-cyclopropylmorpholine-4-carbonyl)cyclohexyl]-2-[4-(2-methoxyethyl)phenyl]-1H-indole-6-sulfonamide

3-chloro-N-[4-(3-cyclopropylmorpholine-4-carbonyl)cyclohexyl]-2-[4-(2-methoxyethyl)phenyl]-1H-indole-6-sulfonamide (PubChem CID 90096579) has the molecular formula C31H38ClN3O5S and a molecular weight of 600.18 g/mol. Its IUPAC name is 3-chloro-N-[4-(3-cyclopropylmorpholine-4-carbonyl)cyclohexyl]-2-[4-(2-methoxyethyl)phenyl]-1H-indole-6-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(3-cyclopropylmorpholine-4-carbonyl)cyclohexyl]-2-[4-(2-methoxyethyl)phenyl]-1H-indole-6-sulfonamide
PubChem CID90096579
Molecular FormulaC31H38ClN3O5S
Molecular Weight600.18 g/mol
Exact Mass599.22
IUPAC Name3-chloro-N-[4-(3-cyclopropylmorpholine-4-carbonyl)cyclohexyl]-2-[4-(2-methoxyethyl)phenyl]-1H-indole-6-sulfonamide
SMILESCOCCc1ccc(-c2[nH]c3cc(S(=O)(=O)NC4CCC(C(=O)N5CCOCC5C5CC5)CC4)ccc3c2Cl)cc1
InChIInChI=1S/C31H38ClN3O5S/c1-39-16-14-20-2-4-22(5-3-20)30-29(32)26-13-12-25(18-27(26)33-30)41(37,38)34-24-10-8-23(9-11-24)31(36)35-15-17-40-19-28(35)21-6-7-21/h2-5,12-13,18,21,23-24,28,33-34H,6-11,14-17,19H2,1H3
InChIKeyLFQMXFPXJXVCTH-UHFFFAOYSA-N
XLogP5.15
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.18
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(3-cyclopropylmorpholine-4-carbonyl)cyclohexyl]-2-[4-(2-methoxyethyl)phenyl]-1H-indole-6-sulfonamide?
The IUPAC name of 3-chloro-N-[4-(3-cyclopropylmorpholine-4-carbonyl)cyclohexyl]-2-[4-(2-methoxyethyl)phenyl]-1H-indole-6-sulfonamide (CID 90096579) is 3-chloro-N-[4-(3-cyclopropylmorpholine-4-carbonyl)cyclohexyl]-2-[4-(2-methoxyethyl)phenyl]-1H-indole-6-sulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(3-cyclopropylmorpholine-4-carbonyl)cyclohexyl]-2-[4-(2-methoxyethyl)phenyl]-1H-indole-6-sulfonamide?
The canonical SMILES for 3-chloro-N-[4-(3-cyclopropylmorpholine-4-carbonyl)cyclohexyl]-2-[4-(2-methoxyethyl)phenyl]-1H-indole-6-sulfonamide is COCCc1ccc(-c2[nH]c3cc(S(=O)(=O)NC4CCC(C(=O)N5CCOCC5C5CC5)CC4)ccc3c2Cl)cc1.
What is the InChIKey of 3-chloro-N-[4-(3-cyclopropylmorpholine-4-carbonyl)cyclohexyl]-2-[4-(2-methoxyethyl)phenyl]-1H-indole-6-sulfonamide?
The InChIKey is LFQMXFPXJXVCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38ClN3O5S/c1-39-16-14-20-2-4-22(5-3-20)30-29(32)26-13-12-25(18-27(26)33-30)41(37,38)34-24-10-8-23(9-11-24)31(36)35-15-17-40-19-28(35)21-6-7-21/h2-5,12-13,18,21,23-24,28,33-34H,6-11,14-17,19H2,1H3.
What are the key properties of 3-chloro-N-[4-(3-cyclopropylmorpholine-4-carbonyl)cyclohexyl]-2-[4-(2-methoxyethyl)phenyl]-1H-indole-6-sulfonamide?
3-chloro-N-[4-(3-cyclopropylmorpholine-4-carbonyl)cyclohexyl]-2-[4-(2-methoxyethyl)phenyl]-1H-indole-6-sulfonamide has a molecular weight of 600.18 g/mol, XLogP of 5.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(3-cyclopropylmorpholine-4-carbonyl)cyclohexyl]-2-[4-(2-methoxyethyl)phenyl]-1H-indole-6-sulfonamide is sourced from PubChem (CID 90096579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).