1-(4-chlorophenyl)-N-methylbutane-1-sulfonamide

C11H16ClNO2S — CID 165445624

IUPAC1-(4-chlorophenyl)-N-methylbutane-1-sulfonamide
SMILESCCCC(c1ccc(Cl)cc1)S(=O)(=O)NC
InChIInChI=1S/C11H16ClNO2S/c1-3-4-11(16(14,15)13-2)9-5-7-10(12)8-6-9/h5-8,11,13H,3-4H2,1-2H3
InChIKeyBHBQLVCEJJJFHF-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.73
Rot. Bonds5

About 1-(4-chlorophenyl)-N-methylbutane-1-sulfonamide

1-(4-chlorophenyl)-N-methylbutane-1-sulfonamide (PubChem CID 165445624) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methylbutane-1-sulfonamide
PubChem CID165445624
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name1-(4-chlorophenyl)-N-methylbutane-1-sulfonamide
SMILESCCCC(c1ccc(Cl)cc1)S(=O)(=O)NC
InChIInChI=1S/C11H16ClNO2S/c1-3-4-11(16(14,15)13-2)9-5-7-10(12)8-6-9/h5-8,11,13H,3-4H2,1-2H3
InChIKeyBHBQLVCEJJJFHF-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-chlorophenyl)butane-1-thiol
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N-[1-(4-chlorophenyl)-2-methylpropyl]heptan-4-amine
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1-(4-chlorophenyl)-N-methylpentan-1-amine
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2-[1-(4-chlorophenyl)butylamino]-N-ethylethanesulfonamide
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N-[3-[1-(4-chlorophenyl)butylamino]propyl]methanesulfonamide
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N-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methylbutane-1-sulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-methylbutane-1-sulfonamide (CID 165445624) is 1-(4-chlorophenyl)-N-methylbutane-1-sulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methylbutane-1-sulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-methylbutane-1-sulfonamide is CCCC(c1ccc(Cl)cc1)S(=O)(=O)NC.
What is the InChIKey of 1-(4-chlorophenyl)-N-methylbutane-1-sulfonamide?
The InChIKey is BHBQLVCEJJJFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-3-4-11(16(14,15)13-2)9-5-7-10(12)8-6-9/h5-8,11,13H,3-4H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-methylbutane-1-sulfonamide?
1-(4-chlorophenyl)-N-methylbutane-1-sulfonamide has a molecular weight of 261.77 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 165445624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).