N-[4-[(2-methylphenyl)methylamino]phenyl]butane-1-sulfonamide

C18H24N2O2S — CID 112982043

IUPACN-[4-[(2-methylphenyl)methylamino]phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(NCc2ccccc2C)cc1
InChIInChI=1S/C18H24N2O2S/c1-3-4-13-23(21,22)20-18-11-9-17(10-12-18)19-14-16-8-6-5-7-15(16)2/h5-12,19-20H,3-4,13-14H2,1-2H3
InChIKeyLNLVHYSIXIBYOB-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.15
Rot. Bonds8

About N-[4-[(2-methylphenyl)methylamino]phenyl]butane-1-sulfonamide

N-[4-[(2-methylphenyl)methylamino]phenyl]butane-1-sulfonamide (PubChem CID 112982043) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[4-[(2-methylphenyl)methylamino]phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[(2-methylphenyl)methylamino]phenyl]butane-1-sulfonamide
PubChem CID112982043
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[4-[(2-methylphenyl)methylamino]phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(NCc2ccccc2C)cc1
InChIInChI=1S/C18H24N2O2S/c1-3-4-13-23(21,22)20-18-11-9-17(10-12-18)19-14-16-8-6-5-7-15(16)2/h5-12,19-20H,3-4,13-14H2,1-2H3
InChIKeyLNLVHYSIXIBYOB-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-benzoylphenyl)butane-1-sulfonamide
CID 21486671
N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide
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N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide
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N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide
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N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide
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oxathiaziridine;bis(N-phenylbutane-1-sulfonamide)
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylphenyl)methylamino]phenyl]butane-1-sulfonamide?
The IUPAC name of N-[4-[(2-methylphenyl)methylamino]phenyl]butane-1-sulfonamide (CID 112982043) is N-[4-[(2-methylphenyl)methylamino]phenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[4-[(2-methylphenyl)methylamino]phenyl]butane-1-sulfonamide?
The canonical SMILES for N-[4-[(2-methylphenyl)methylamino]phenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(NCc2ccccc2C)cc1.
What is the InChIKey of N-[4-[(2-methylphenyl)methylamino]phenyl]butane-1-sulfonamide?
The InChIKey is LNLVHYSIXIBYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-3-4-13-23(21,22)20-18-11-9-17(10-12-18)19-14-16-8-6-5-7-15(16)2/h5-12,19-20H,3-4,13-14H2,1-2H3.
What are the key properties of N-[4-[(2-methylphenyl)methylamino]phenyl]butane-1-sulfonamide?
N-[4-[(2-methylphenyl)methylamino]phenyl]butane-1-sulfonamide has a molecular weight of 332.47 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylphenyl)methylamino]phenyl]butane-1-sulfonamide is sourced from PubChem (CID 112982043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).