N-butyl-N-(4-methoxyphenyl)benzenesulfonamide

C17H21NO3S — CID 35766210

IUPACN-butyl-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCCCCN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H21NO3S/c1-3-4-14-18(15-10-12-16(21-2)13-11-15)22(19,20)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3
InChIKeyKOGFGXGWHUBETM-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.69
Rot. Bonds7

About N-butyl-N-(4-methoxyphenyl)benzenesulfonamide

N-butyl-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 35766210) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-butyl-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID35766210
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-butyl-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCCCCN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H21NO3S/c1-3-4-14-18(15-10-12-16(21-2)13-11-15)22(19,20)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3
InChIKeyKOGFGXGWHUBETM-UHFFFAOYSA-N
XLogP3.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 4793747
N-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide
CID 118986815
N-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 46022004
N-(4-cyclobutyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
CID 139532553
2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]-(2-phenylethyl)amino]-N-butylbutanamide
CID 132742242
2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]-(2-phenylethyl)amino]-N-butylpropanamide
CID 132738881
4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 100591331
N-butyl-N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-4-methoxybenzenesulfonamide
CID 69152574
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
CID 126138621
N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 94818649
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 2249335
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-butyl-N-(4-methoxyphenyl)benzenesulfonamide (CID 35766210) is N-butyl-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-butyl-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-butyl-N-(4-methoxyphenyl)benzenesulfonamide is CCCCN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-butyl-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is KOGFGXGWHUBETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-3-4-14-18(15-10-12-16(21-2)13-11-15)22(19,20)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3.
What are the key properties of N-butyl-N-(4-methoxyphenyl)benzenesulfonamide?
N-butyl-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 35766210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).