N-(3-chloro-2-methylphenyl)butane-1-sulfonamide

C11H16ClNO2S — CID 22774000

IUPACN-(3-chloro-2-methylphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C11H16ClNO2S/c1-3-4-8-16(14,15)13-11-7-5-6-10(12)9(11)2/h5-7,13H,3-4,8H2,1-2H3
InChIKeyKTWRZGQVSQWQFY-UHFFFAOYSA-N
MW261.77 g/mol
LogP3.19
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)butane-1-sulfonamide

N-(3-chloro-2-methylphenyl)butane-1-sulfonamide (PubChem CID 22774000) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)butane-1-sulfonamide
PubChem CID22774000
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC NameN-(3-chloro-2-methylphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C11H16ClNO2S/c1-3-4-8-16(14,15)13-11-7-5-6-10(12)9(11)2/h5-7,13H,3-4,8H2,1-2H3
InChIKeyKTWRZGQVSQWQFY-UHFFFAOYSA-N
XLogP3.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(butylsulfonylamino)-2-methylbenzoic acid
CID 62033878
N-(3-chloro-2-methylphenyl)methanesulfonamide
CID 669020
N-[2-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 113093433
N-(3-chloro-2-hydroxyphenyl)butane-1-sulfonamide;N-(3-chloro-2-hydroxyphenyl)octane-1-sulfonamide;N-(3-chloro-2-hydroxyphenyl)propane-2-sulfonamide
CID 158915765
N-(2,4-dichlorophenyl)butane-1-sulfonamide
CID 110757016
N-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide
CID 114141241
N-(2-aminophenyl)butane-1-sulfonamide
CID 16771337
N-(5-chloro-2-methylphenyl)butane-1-sulfonamide
CID 6466028
N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide
CID 81434097
3-chloro-N-(3-ethylsulfonylpropyl)-2-methylaniline
CID 65094138
[2-(3-chloro-2-methylanilino)-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate
CID 8744665
N-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide
CID 64788344

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)butane-1-sulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)butane-1-sulfonamide (CID 22774000) is N-(3-chloro-2-methylphenyl)butane-1-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)butane-1-sulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)butane-1-sulfonamide?
The InChIKey is KTWRZGQVSQWQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-3-4-8-16(14,15)13-11-7-5-6-10(12)9(11)2/h5-7,13H,3-4,8H2,1-2H3.
What are the key properties of N-(3-chloro-2-methylphenyl)butane-1-sulfonamide?
N-(3-chloro-2-methylphenyl)butane-1-sulfonamide has a molecular weight of 261.77 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)butane-1-sulfonamide is sourced from PubChem (CID 22774000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).