N-(3-chloro-4-cyclopropylphenyl)methanesulfonamide

C10H12ClNO2S — CID 174269520

IUPACN-(3-chloro-4-cyclopropylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2CC2)c(Cl)c1
InChIInChI=1S/C10H12ClNO2S/c1-15(13,14)12-8-4-5-9(7-2-3-7)10(11)6-8/h4-7,12H,2-3H2,1H3
InChIKeyXAEYZBSFYXCQJG-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.59
Rot. Bonds3

About N-(3-chloro-4-cyclopropylphenyl)methanesulfonamide

N-(3-chloro-4-cyclopropylphenyl)methanesulfonamide (PubChem CID 174269520) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is N-(3-chloro-4-cyclopropylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyclopropylphenyl)methanesulfonamide
PubChem CID174269520
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC NameN-(3-chloro-4-cyclopropylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2CC2)c(Cl)c1
InChIInChI=1S/C10H12ClNO2S/c1-15(13,14)12-8-4-5-9(7-2-3-7)10(11)6-8/h4-7,12H,2-3H2,1H3
InChIKeyXAEYZBSFYXCQJG-UHFFFAOYSA-N
XLogP2.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
N-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide
CID 43708204
2-chloro-4-(methanesulfonamido)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92678157
N-[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]methanesulfonamide;hydrochloride
CID 19064525
N-(4-cyclobutylphenyl)methanesulfonamide
CID 170179821
3-chloro-4-nitroaniline;N-(3-chloro-4-nitrophenyl)methanesulfonamide
CID 161191303
N-[3-(cyclopentylamino)phenyl]methanesulfonamide
CID 28731342
N-[4-(2,6-dichloroanilino)phenyl]methanesulfonamide
CID 112989678
N-[2-chloro-4-[(4-hydroxycyclohexyl)amino]phenyl]methanesulfonamide
CID 106594192
N-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)-4-chlorophenyl]methanesulfonamide
CID 105364063
N-[4-(4-benzhydrylpiperazine-1-carbonyl)-3-chlorophenyl]methanesulfonamide
CID 92677391
N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide
CID 62999677

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyclopropylphenyl)methanesulfonamide?
The IUPAC name of N-(3-chloro-4-cyclopropylphenyl)methanesulfonamide (CID 174269520) is N-(3-chloro-4-cyclopropylphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-chloro-4-cyclopropylphenyl)methanesulfonamide?
The canonical SMILES for N-(3-chloro-4-cyclopropylphenyl)methanesulfonamide is CS(=O)(=O)Nc1ccc(C2CC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-cyclopropylphenyl)methanesulfonamide?
The InChIKey is XAEYZBSFYXCQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c1-15(13,14)12-8-4-5-9(7-2-3-7)10(11)6-8/h4-7,12H,2-3H2,1H3.
What are the key properties of N-(3-chloro-4-cyclopropylphenyl)methanesulfonamide?
N-(3-chloro-4-cyclopropylphenyl)methanesulfonamide has a molecular weight of 245.73 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyclopropylphenyl)methanesulfonamide is sourced from PubChem (CID 174269520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).