2-chloro-5-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)aniline

C16H24ClNO2S — CID 63426890

IUPAC2-chloro-5-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCC(Nc2cc(S(C)(=O)=O)ccc2Cl)CC1
InChIInChI=1S/C16H24ClNO2S/c1-11(2)12-4-6-13(7-5-12)18-16-10-14(21(3,19)20)8-9-15(16)17/h8-13,18H,4-7H2,1-3H3
InChIKeyDQTQDSPVKWCTEF-UHFFFAOYSA-N
MW329.89 g/mol
LogP4.37
Rot. Bonds4

About 2-chloro-5-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)aniline

2-chloro-5-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)aniline (PubChem CID 63426890) has the molecular formula C16H24ClNO2S and a molecular weight of 329.89 g/mol. Its IUPAC name is 2-chloro-5-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name2-chloro-5-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)aniline
PubChem CID63426890
Molecular FormulaC16H24ClNO2S
Molecular Weight329.89 g/mol
Exact Mass329.12
IUPAC Name2-chloro-5-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCC(Nc2cc(S(C)(=O)=O)ccc2Cl)CC1
InChIInChI=1S/C16H24ClNO2S/c1-11(2)12-4-6-13(7-5-12)18-16-10-14(21(3,19)20)8-9-15(16)17/h8-13,18H,4-7H2,1-3H3
InChIKeyDQTQDSPVKWCTEF-UHFFFAOYSA-N
XLogP4.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.89
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-methylsulfonyl-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561157
4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine
CID 79724159
N-(2-chloro-5-methylsulfonylphenyl)thian-4-amine
CID 43682189
2-chloro-N-cyclohexyl-5-methylsulfonylaniline
CID 43682135
2-chloro-N-(3,4-dimethylcyclohexyl)-5-methylsulfonylaniline
CID 64733775
2-chloro-N-(3-methoxycyclobutyl)-5-methylsulfonylaniline
CID 106821322
N-(2-chloro-5-methylsulfonylphenyl)-1-methylazepan-4-amine
CID 65070213
N-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine
CID 65074551
N-(2-chloro-5-fluorophenyl)-4-propan-2-ylcycloheptan-1-amine
CID 107527132
4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
CID 106594205
4-chloro-3-(cyclohexylamino)benzenesulfonamide
CID 43745858
N-(dicyclopropylmethyl)-2-methyl-5-methylsulfonylaniline
CID 43685167

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 2-chloro-5-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)aniline (CID 63426890) is 2-chloro-5-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 2-chloro-5-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 2-chloro-5-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)aniline is CC(C)C1CCC(Nc2cc(S(C)(=O)=O)ccc2Cl)CC1.
What is the InChIKey of 2-chloro-5-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)aniline?
The InChIKey is DQTQDSPVKWCTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2S/c1-11(2)12-4-6-13(7-5-12)18-16-10-14(21(3,19)20)8-9-15(16)17/h8-13,18H,4-7H2,1-3H3.
What are the key properties of 2-chloro-5-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)aniline?
2-chloro-5-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)aniline has a molecular weight of 329.89 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 63426890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).