5-chloro-N-[(1S,2R,4S)-2-methyl-4-(methylsulfonylmethyl)cyclohexyl]-1H-indole-2-carboxamide

C18H23ClN2O3S — CID 58208842

IUPAC5-chloro-N-[(1S,2R,4S)-2-methyl-4-(methylsulfonylmethyl)cyclohexyl]-1H-indole-2-carboxamide
SMILESC[C@@H]1C[C@@H](CS(C)(=O)=O)CC[C@@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C18H23ClN2O3S/c1-11-7-12(10-25(2,23)24)3-5-15(11)21-18(22)17-9-13-8-14(19)4-6-16(13)20-17/h4,6,8-9,11-12,15,20H,3,5,7,10H2,1-2H3,(H,21,22)/t11-,12+,15+/m1/s1
InChIKeyQQAOHMFLCQABEL-XUJVJEKNSA-N
MW382.91 g/mol
LogP3.40
Rot. Bonds4

About 5-chloro-N-[(1S,2R,4S)-2-methyl-4-(methylsulfonylmethyl)cyclohexyl]-1H-indole-2-carboxamide

5-chloro-N-[(1S,2R,4S)-2-methyl-4-(methylsulfonylmethyl)cyclohexyl]-1H-indole-2-carboxamide (PubChem CID 58208842) has the molecular formula C18H23ClN2O3S and a molecular weight of 382.91 g/mol. Its IUPAC name is 5-chloro-N-[(1S,2R,4S)-2-methyl-4-(methylsulfonylmethyl)cyclohexyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1S,2R,4S)-2-methyl-4-(methylsulfonylmethyl)cyclohexyl]-1H-indole-2-carboxamide
PubChem CID58208842
Molecular FormulaC18H23ClN2O3S
Molecular Weight382.91 g/mol
Exact Mass382.11
IUPAC Name5-chloro-N-[(1S,2R,4S)-2-methyl-4-(methylsulfonylmethyl)cyclohexyl]-1H-indole-2-carboxamide
SMILESC[C@@H]1C[C@@H](CS(C)(=O)=O)CC[C@@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C18H23ClN2O3S/c1-11-7-12(10-25(2,23)24)3-5-15(11)21-18(22)17-9-13-8-14(19)4-6-16(13)20-17/h4,6,8-9,11-12,15,20H,3,5,7,10H2,1-2H3,(H,21,22)/t11-,12+,15+/m1/s1
InChIKeyQQAOHMFLCQABEL-XUJVJEKNSA-N
XLogP3.40
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[(1S,2R,4S)-2-methyl-4-(methylsulfonylmethyl)cyclohexyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

[(1R,2S,5S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(hydroxymethyl)cyclohexyl]carbamic acid
CID 67056497
[(1S,3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl methanesulfonate
CID 59677041
N-[(1R,2S)-2-amino-4-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]-5-chloro-1H-indole-2-carboxamide;hydrochloride
CID 70662076
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide
CID 18442871
5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide
CID 154568197
ethyl (1R,3S,4R)-3-amino-4-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 67056797
N-[(3aS,5R,6S,7aR)-6-amino-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-5-chloro-1H-indole-2-carboxamide
CID 68905442
N-[(3aR,5R,6S,7aS)-6-amino-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-5-chloro-1H-indole-2-carboxamide
CID 68907064
N-(2,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
CID 63998403
5-chloro-N-[(1S,2S)-1-(methanesulfonamido)-2,3-dihydro-1H-inden-2-yl]-1H-indole-2-carboxamide
CID 24887280
N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide
CID 18442852

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S,2R,4S)-2-methyl-4-(methylsulfonylmethyl)cyclohexyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1S,2R,4S)-2-methyl-4-(methylsulfonylmethyl)cyclohexyl]-1H-indole-2-carboxamide (CID 58208842) is 5-chloro-N-[(1S,2R,4S)-2-methyl-4-(methylsulfonylmethyl)cyclohexyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1S,2R,4S)-2-methyl-4-(methylsulfonylmethyl)cyclohexyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1S,2R,4S)-2-methyl-4-(methylsulfonylmethyl)cyclohexyl]-1H-indole-2-carboxamide is C[C@@H]1C[C@@H](CS(C)(=O)=O)CC[C@@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[(1S,2R,4S)-2-methyl-4-(methylsulfonylmethyl)cyclohexyl]-1H-indole-2-carboxamide?
The InChIKey is QQAOHMFLCQABEL-XUJVJEKNSA-N. The full InChI is InChI=1S/C18H23ClN2O3S/c1-11-7-12(10-25(2,23)24)3-5-15(11)21-18(22)17-9-13-8-14(19)4-6-16(13)20-17/h4,6,8-9,11-12,15,20H,3,5,7,10H2,1-2H3,(H,21,22)/t11-,12+,15+/m1/s1.
What are the key properties of 5-chloro-N-[(1S,2R,4S)-2-methyl-4-(methylsulfonylmethyl)cyclohexyl]-1H-indole-2-carboxamide?
5-chloro-N-[(1S,2R,4S)-2-methyl-4-(methylsulfonylmethyl)cyclohexyl]-1H-indole-2-carboxamide has a molecular weight of 382.91 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S,2R,4S)-2-methyl-4-(methylsulfonylmethyl)cyclohexyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 58208842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).