3-chloro-2-cyclopropyl-1-methyl-N-[4-[(3S)-3-methylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide

C24H32ClN3O4S — CID 90096570

IUPAC3-chloro-2-cyclopropyl-1-methyl-N-[4-[(3S)-3-methylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide
SMILESC[C@H]1COCCN1C(=O)C1CCC(NS(=O)(=O)c2ccc3c(Cl)c(C4CC4)n(C)c3c2)CC1
InChIInChI=1S/C24H32ClN3O4S/c1-15-14-32-12-11-28(15)24(29)17-5-7-18(8-6-17)26-33(30,31)19-9-10-20-21(13-19)27(2)23(22(20)25)16-3-4-16/h9-10,13,15-18,26H,3-8,11-12,14H2,1-2H3/t15-,17?,18?/m0/s1
InChIKeyBXNOJQBOXVJFKB-ZLPCBKJTSA-N
MW494.06 g/mol
LogP3.79
Rot. Bonds5

About 3-chloro-2-cyclopropyl-1-methyl-N-[4-[(3S)-3-methylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide

3-chloro-2-cyclopropyl-1-methyl-N-[4-[(3S)-3-methylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide (PubChem CID 90096570) has the molecular formula C24H32ClN3O4S and a molecular weight of 494.06 g/mol. Its IUPAC name is 3-chloro-2-cyclopropyl-1-methyl-N-[4-[(3S)-3-methylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide.

Molecular Properties

Compound Name3-chloro-2-cyclopropyl-1-methyl-N-[4-[(3S)-3-methylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide
PubChem CID90096570
Molecular FormulaC24H32ClN3O4S
Molecular Weight494.06 g/mol
Exact Mass493.18
IUPAC Name3-chloro-2-cyclopropyl-1-methyl-N-[4-[(3S)-3-methylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide
SMILESC[C@H]1COCCN1C(=O)C1CCC(NS(=O)(=O)c2ccc3c(Cl)c(C4CC4)n(C)c3c2)CC1
InChIInChI=1S/C24H32ClN3O4S/c1-15-14-32-12-11-28(15)24(29)17-5-7-18(8-6-17)26-33(30,31)19-9-10-20-21(13-19)27(2)23(22(20)25)16-3-4-16/h9-10,13,15-18,26H,3-8,11-12,14H2,1-2H3/t15-,17?,18?/m0/s1
InChIKeyBXNOJQBOXVJFKB-ZLPCBKJTSA-N
XLogP3.79
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.06
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-2-cyclopropyl-1-methyl-N-[4-[(3S)-3-methylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide with MolForge

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Related Compounds

2-[4-(methoxymethyl)phenyl]-1-methyl-N-[4-(3-methylmorpholine-4-carbonyl)cyclohexyl]indole-6-sulfonamide
CID 90096575
3-chloro-N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-2-(4-ethylphenyl)-1-methylindole-6-sulfonamide
CID 67208081
3-chloro-2-cyclopropyl-1-methyl-N-[4-[(3R)-3-(trifluoromethyl)piperazine-1-carbonyl]cyclohexyl]indole-6-sulfonamide
CID 90096413
2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide
CID 58074376
3-[4-[3-chloro-6-[[4-(3-cyclopropylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]-1-methylindol-2-yl]phenyl]propanoic acid
CID 66710091
N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide
CID 90096545
4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid;2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide;(3S)-3-propan-2-ylmorpholine
CID 160976690
2-(4-ethylphenyl)-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide
CID 67208084
N-[4-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide
CID 90096762
3-[4-[1-methyl-6-[[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]sulfamoyl]indol-2-yl]phenyl]propanoic acid
CID 66710234
3-chloro-N-[4-(3-cyclopropylmorpholine-4-carbonyl)cyclohexyl]-2-[4-(2-methoxyethyl)phenyl]-1H-indole-6-sulfonamide
CID 90096579
3-chloro-2-[4-(2-methoxyethyl)phenyl]-N-[4-(3-propan-2-ylmorpholine-4-carbonyl)cyclohexyl]-1H-indole-6-sulfonamide
CID 90096539

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-cyclopropyl-1-methyl-N-[4-[(3S)-3-methylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide?
The IUPAC name of 3-chloro-2-cyclopropyl-1-methyl-N-[4-[(3S)-3-methylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide (CID 90096570) is 3-chloro-2-cyclopropyl-1-methyl-N-[4-[(3S)-3-methylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide.
What is the SMILES notation for 3-chloro-2-cyclopropyl-1-methyl-N-[4-[(3S)-3-methylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide?
The canonical SMILES for 3-chloro-2-cyclopropyl-1-methyl-N-[4-[(3S)-3-methylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide is C[C@H]1COCCN1C(=O)C1CCC(NS(=O)(=O)c2ccc3c(Cl)c(C4CC4)n(C)c3c2)CC1.
What is the InChIKey of 3-chloro-2-cyclopropyl-1-methyl-N-[4-[(3S)-3-methylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide?
The InChIKey is BXNOJQBOXVJFKB-ZLPCBKJTSA-N. The full InChI is InChI=1S/C24H32ClN3O4S/c1-15-14-32-12-11-28(15)24(29)17-5-7-18(8-6-17)26-33(30,31)19-9-10-20-21(13-19)27(2)23(22(20)25)16-3-4-16/h9-10,13,15-18,26H,3-8,11-12,14H2,1-2H3/t15-,17?,18?/m0/s1.
What are the key properties of 3-chloro-2-cyclopropyl-1-methyl-N-[4-[(3S)-3-methylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide?
3-chloro-2-cyclopropyl-1-methyl-N-[4-[(3S)-3-methylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide has a molecular weight of 494.06 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-cyclopropyl-1-methyl-N-[4-[(3S)-3-methylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide is sourced from PubChem (CID 90096570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).