N-(5-chloro-2-methylphenyl)butane-1-sulfonamide

C11H16ClNO2S — CID 6466028

IUPACN-(5-chloro-2-methylphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C11H16ClNO2S/c1-3-4-7-16(14,15)13-11-8-10(12)6-5-9(11)2/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyIMWBPDQIEKGDCG-UHFFFAOYSA-N
MW261.77 g/mol
LogP3.19
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)butane-1-sulfonamide

N-(5-chloro-2-methylphenyl)butane-1-sulfonamide (PubChem CID 6466028) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)butane-1-sulfonamide
PubChem CID6466028
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC NameN-(5-chloro-2-methylphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C11H16ClNO2S/c1-3-4-7-16(14,15)13-11-8-10(12)6-5-9(11)2/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyIMWBPDQIEKGDCG-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

N-(2,4-dichlorophenyl)butane-1-sulfonamide
CID 110757016
N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide
CID 81434097
N-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106031181
N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide
CID 5122438
N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide
CID 112987095
N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide
CID 43114648
N-(5-chloro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 788792
N-(5-chloro-2-methoxyphenyl)-3-(propylamino)propane-1-sulfonamide
CID 106059590
N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 60640735
N-(3-chloro-2-methylphenyl)butane-1-sulfonamide
CID 22774000
N-(5-chloro-2-methoxyphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106059622
N-(4-chloro-2-pyridinyl)butane-1-sulfonamide
CID 104821756

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)butane-1-sulfonamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)butane-1-sulfonamide (CID 6466028) is N-(5-chloro-2-methylphenyl)butane-1-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)butane-1-sulfonamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)butane-1-sulfonamide?
The InChIKey is IMWBPDQIEKGDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-3-4-7-16(14,15)13-11-8-10(12)6-5-9(11)2/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of N-(5-chloro-2-methylphenyl)butane-1-sulfonamide?
N-(5-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-(5-chloro-2-methylphenyl)butane-1-sulfonamide is sourced from PubChem (CID 6466028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).