N-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide

C10H14ClNO2S — CID 58029497

IUPACN-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide
SMILESCC(C)c1cc(Cl)ccc1NS(C)(=O)=O
InChIInChI=1S/C10H14ClNO2S/c1-7(2)9-6-8(11)4-5-10(9)12-15(3,13)14/h4-7,12H,1-3H3
InChIKeySBJUYQMMVSHRCL-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.83
Rot. Bonds3

About N-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide

N-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide (PubChem CID 58029497) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is N-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide
PubChem CID58029497
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC NameN-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide
SMILESCC(C)c1cc(Cl)ccc1NS(C)(=O)=O
InChIInChI=1S/C10H14ClNO2S/c1-7(2)9-6-8(11)4-5-10(9)12-15(3,13)14/h4-7,12H,1-3H3
InChIKeySBJUYQMMVSHRCL-UHFFFAOYSA-N
XLogP2.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-propan-2-ylphenyl)acetamide;N-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide;methyl N-(4-chloro-2-propan-2-ylphenyl)carbamate
CID 159969843
N-(2-acetyl-4-chlorophenyl)methanesulfonamide
CID 145014745
methyl 5-chloro-2-(methanesulfonamido)benzoate
CID 18350480
N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide
CID 134879213
N-[2-chloro-4-(propan-2-ylamino)phenyl]methanesulfonamide
CID 43744799
5-chloro-2-(methanesulfonamido)-N-[2-(methylamino)propyl]benzamide
CID 120831052
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
N-(2-amino-4-propan-2-ylphenyl)methanesulfonamide
CID 165395183
N-(5-chloro-2-methoxyphenyl)-4-ethoxy-3-propan-2-ylbenzenesulfonamide
CID 6456783
N-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide
CID 43744787
N-(4-chloro-2-formylphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 46918839
(2R)-2-[2-(methanesulfonamido)phenyl]propanamide
CID 66860798

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide?
The IUPAC name of N-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide (CID 58029497) is N-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide?
The canonical SMILES for N-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide is CC(C)c1cc(Cl)ccc1NS(C)(=O)=O.
What is the InChIKey of N-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide?
The InChIKey is SBJUYQMMVSHRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-7(2)9-6-8(11)4-5-10(9)12-15(3,13)14/h4-7,12H,1-3H3.
What are the key properties of N-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide?
N-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide has a molecular weight of 247.75 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide is sourced from PubChem (CID 58029497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).