4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid

C19H24N2O4S — CID 58074416

IUPAC4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCn1c(C2CC2)cc2ccc(S(=O)(=O)NC3CCC(C(=O)O)CC3)cc21
InChIInChI=1S/C19H24N2O4S/c1-21-17(12-2-3-12)10-14-6-9-16(11-18(14)21)26(24,25)20-15-7-4-13(5-8-15)19(22)23/h6,9-13,15,20H,2-5,7-8H2,1H3,(H,22,23)
InChIKeyJDRAOXWVMUBONB-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.98
Rot. Bonds5

About 4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid

4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 58074416) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID58074416
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCn1c(C2CC2)cc2ccc(S(=O)(=O)NC3CCC(C(=O)O)CC3)cc21
InChIInChI=1S/C19H24N2O4S/c1-21-17(12-2-3-12)10-14-6-9-16(11-18(14)21)26(24,25)20-15-7-4-13(5-8-15)19(22)23/h6,9-13,15,20H,2-5,7-8H2,1H3,(H,22,23)
InChIKeyJDRAOXWVMUBONB-UHFFFAOYSA-N
XLogP2.98
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide
CID 58074376
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
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
N-[4-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide
CID 90096762
4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808567
4-[(3-bromophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60809051
N-[4-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide
CID 90096466
3-[4-[6-[[4-[ethyl(methyl)carbamoyl]cyclohexyl]sulfamoyl]-1-methylindol-2-yl]phenyl]propanoic acid
CID 90096549
3-[4-[1-methyl-6-[[4-(piperidine-1-carbonyl)cyclohexyl]sulfamoyl]indol-2-yl]phenyl]propanoic acid
CID 90096482
N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide
CID 90096545
4-[[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 122101413
N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886497

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 58074416) is 4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid is Cn1c(C2CC2)cc2ccc(S(=O)(=O)NC3CCC(C(=O)O)CC3)cc21.
What is the InChIKey of 4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is JDRAOXWVMUBONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-21-17(12-2-3-12)10-14-6-9-16(11-18(14)21)26(24,25)20-15-7-4-13(5-8-15)19(22)23/h6,9-13,15,20H,2-5,7-8H2,1H3,(H,22,23).
What are the key properties of 4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 376.48 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 58074416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).