2-chloro-5-methylsulfonyl-N-(3-propan-2-ylcyclobutyl)aniline

C14H20ClNO2S — CID 103561157

IUPAC2-chloro-5-methylsulfonyl-N-(3-propan-2-ylcyclobutyl)aniline
SMILESCC(C)C1CC(Nc2cc(S(C)(=O)=O)ccc2Cl)C1
InChIInChI=1S/C14H20ClNO2S/c1-9(2)10-6-11(7-10)16-14-8-12(19(3,17)18)4-5-13(14)15/h4-5,8-11,16H,6-7H2,1-3H3
InChIKeyMVEQCNTZFLAAEB-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.59
Rot. Bonds4

About 2-chloro-5-methylsulfonyl-N-(3-propan-2-ylcyclobutyl)aniline

2-chloro-5-methylsulfonyl-N-(3-propan-2-ylcyclobutyl)aniline (PubChem CID 103561157) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 2-chloro-5-methylsulfonyl-N-(3-propan-2-ylcyclobutyl)aniline.

Molecular Properties

Compound Name2-chloro-5-methylsulfonyl-N-(3-propan-2-ylcyclobutyl)aniline
PubChem CID103561157
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name2-chloro-5-methylsulfonyl-N-(3-propan-2-ylcyclobutyl)aniline
SMILESCC(C)C1CC(Nc2cc(S(C)(=O)=O)ccc2Cl)C1
InChIInChI=1S/C14H20ClNO2S/c1-9(2)10-6-11(7-10)16-14-8-12(19(3,17)18)4-5-13(14)15/h4-5,8-11,16H,6-7H2,1-3H3
InChIKeyMVEQCNTZFLAAEB-UHFFFAOYSA-N
XLogP3.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63426890
2-chloro-N-(3-methoxycyclobutyl)-5-methylsulfonylaniline
CID 106821322
2-chloro-N-cyclohexyl-5-methylsulfonylaniline
CID 43682135
2-chloro-N-(3,4-dimethylcyclohexyl)-5-methylsulfonylaniline
CID 64733775
4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine
CID 79724159
N-(2-chloro-5-methylsulfonylphenyl)thian-4-amine
CID 43682189
N-(2-chloro-5-methylsulfonylphenyl)-1-methylazepan-4-amine
CID 65070213
N-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine
CID 65074551
2-chloro-N-(1,1-difluoropropan-2-yl)-5-methylsulfonylaniline
CID 102868375
2-chloro-4-nitro-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561196
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide
CID 107902980
2-chloro-N-(2-methylbutyl)-5-methylsulfonylaniline
CID 43682056

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfonyl-N-(3-propan-2-ylcyclobutyl)aniline?
The IUPAC name of 2-chloro-5-methylsulfonyl-N-(3-propan-2-ylcyclobutyl)aniline (CID 103561157) is 2-chloro-5-methylsulfonyl-N-(3-propan-2-ylcyclobutyl)aniline.
What is the SMILES notation for 2-chloro-5-methylsulfonyl-N-(3-propan-2-ylcyclobutyl)aniline?
The canonical SMILES for 2-chloro-5-methylsulfonyl-N-(3-propan-2-ylcyclobutyl)aniline is CC(C)C1CC(Nc2cc(S(C)(=O)=O)ccc2Cl)C1.
What is the InChIKey of 2-chloro-5-methylsulfonyl-N-(3-propan-2-ylcyclobutyl)aniline?
The InChIKey is MVEQCNTZFLAAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-9(2)10-6-11(7-10)16-14-8-12(19(3,17)18)4-5-13(14)15/h4-5,8-11,16H,6-7H2,1-3H3.
What are the key properties of 2-chloro-5-methylsulfonyl-N-(3-propan-2-ylcyclobutyl)aniline?
2-chloro-5-methylsulfonyl-N-(3-propan-2-ylcyclobutyl)aniline has a molecular weight of 301.84 g/mol, XLogP of 3.59, 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-(3-propan-2-ylcyclobutyl)aniline is sourced from PubChem (CID 103561157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).