[3-chloro-4-(propan-2-ylsulfonylmethyl)phenyl]methanamine

C11H16ClNO2S — CID 102670600

IUPAC[3-chloro-4-(propan-2-ylsulfonylmethyl)phenyl]methanamine
SMILESCC(C)S(=O)(=O)Cc1ccc(CN)cc1Cl
InChIInChI=1S/C11H16ClNO2S/c1-8(2)16(14,15)7-10-4-3-9(6-13)5-11(10)12/h3-5,8H,6-7,13H2,1-2H3
InChIKeyUHPKHBGWQLEUAA-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.12
Rot. Bonds4

About [3-chloro-4-(propan-2-ylsulfonylmethyl)phenyl]methanamine

[3-chloro-4-(propan-2-ylsulfonylmethyl)phenyl]methanamine (PubChem CID 102670600) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is [3-chloro-4-(propan-2-ylsulfonylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-(propan-2-ylsulfonylmethyl)phenyl]methanamine
PubChem CID102670600
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name[3-chloro-4-(propan-2-ylsulfonylmethyl)phenyl]methanamine
SMILESCC(C)S(=O)(=O)Cc1ccc(CN)cc1Cl
InChIInChI=1S/C11H16ClNO2S/c1-8(2)16(14,15)7-10-4-3-9(6-13)5-11(10)12/h3-5,8H,6-7,13H2,1-2H3
InChIKeyUHPKHBGWQLEUAA-UHFFFAOYSA-N
XLogP2.12
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-chloro-4-(propan-2-ylsulfonylmethyl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-chloro-4-(propylsulfonylmethyl)phenyl]methanamine
CID 102670591
2-chloro-1-propan-2-yl-4-(propan-2-ylsulfonylmethyl)benzene
CID 162184316
[3-chloro-4-[(2,4-dimethylphenyl)sulfonylmethyl]phenyl]methanamine
CID 102670576
[3-chloro-4-[(2,5-dimethylphenyl)sulfonylmethyl]phenyl]methanamine
CID 102670575
2-chloro-4-(propan-2-ylsulfonylmethyl)phenol
CID 117220121
2-[(2-chloro-4-methylphenyl)methylsulfonyl]propan-1-amine
CID 106871026
[1-ethyl-3-(propan-2-ylsulfonylmethyl)indol-6-yl]methanamine
CID 117178755
tert-butyl 2-[[4-(aminomethyl)-2-chlorophenyl]methylsulfonyl]acetate
CID 102670663
[1,1-dioxo-2-(propan-2-ylsulfonylmethyl)-1-benzothiophen-6-yl]methanamine
CID 117179495
[3-chloro-4-[(3-methylcyclohexyl)sulfonylmethyl]phenyl]methanamine
CID 102670604
[3-chloro-4-[(4-propan-2-ylphenyl)sulfinylmethyl]phenyl]methanamine
CID 102670629
2-chloro-5-(propan-2-ylsulfonylmethyl)benzoic acid
CID 117221683

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(propan-2-ylsulfonylmethyl)phenyl]methanamine?
The IUPAC name of [3-chloro-4-(propan-2-ylsulfonylmethyl)phenyl]methanamine (CID 102670600) is [3-chloro-4-(propan-2-ylsulfonylmethyl)phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-(propan-2-ylsulfonylmethyl)phenyl]methanamine?
The canonical SMILES for [3-chloro-4-(propan-2-ylsulfonylmethyl)phenyl]methanamine is CC(C)S(=O)(=O)Cc1ccc(CN)cc1Cl.
What is the InChIKey of [3-chloro-4-(propan-2-ylsulfonylmethyl)phenyl]methanamine?
The InChIKey is UHPKHBGWQLEUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-8(2)16(14,15)7-10-4-3-9(6-13)5-11(10)12/h3-5,8H,6-7,13H2,1-2H3.
What are the key properties of [3-chloro-4-(propan-2-ylsulfonylmethyl)phenyl]methanamine?
[3-chloro-4-(propan-2-ylsulfonylmethyl)phenyl]methanamine has a molecular weight of 261.77 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(propan-2-ylsulfonylmethyl)phenyl]methanamine is sourced from PubChem (CID 102670600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).