N-(3,5-dibutyl-4-hydroxyphenyl)-4-methylbenzenesulfonamide

C21H29NO3S — CID 142633265

IUPACN-(3,5-dibutyl-4-hydroxyphenyl)-4-methylbenzenesulfonamide
SMILESCCCCc1cc(NS(=O)(=O)c2ccc(C)cc2)cc(CCCC)c1O
InChIInChI=1S/C21H29NO3S/c1-4-6-8-17-14-19(15-18(21(17)23)9-7-5-2)22-26(24,25)20-12-10-16(3)11-13-20/h10-15,22-23H,4-9H2,1-3H3
InChIKeyUQUSGZAIAXJJFJ-UHFFFAOYSA-N
MW375.53 g/mol
LogP5.19
Rot. Bonds9

About N-(3,5-dibutyl-4-hydroxyphenyl)-4-methylbenzenesulfonamide

N-(3,5-dibutyl-4-hydroxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 142633265) has the molecular formula C21H29NO3S and a molecular weight of 375.53 g/mol. Its IUPAC name is N-(3,5-dibutyl-4-hydroxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dibutyl-4-hydroxyphenyl)-4-methylbenzenesulfonamide
PubChem CID142633265
Molecular FormulaC21H29NO3S
Molecular Weight375.53 g/mol
Exact Mass375.19
IUPAC NameN-(3,5-dibutyl-4-hydroxyphenyl)-4-methylbenzenesulfonamide
SMILESCCCCc1cc(NS(=O)(=O)c2ccc(C)cc2)cc(CCCC)c1O
InChIInChI=1S/C21H29NO3S/c1-4-6-8-17-14-19(15-18(21(17)23)9-7-5-2)22-26(24,25)20-12-10-16(3)11-13-20/h10-15,22-23H,4-9H2,1-3H3
InChIKeyUQUSGZAIAXJJFJ-UHFFFAOYSA-N
XLogP5.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.53
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-propylphenyl)-4-methylbenzenesulfonamide
CID 165345419
N-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 171692220
N-(2-butyl-1,3-benzoxazol-6-yl)-4-methylbenzenesulfonamide
CID 169370870
hexane;4-methyl-N-[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[(4-methylphenyl)sulfonylamino]-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]benzenesulfonamide
CID 139091825
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
N-[3,5-bis(trifluoromethyl)phenyl]-4-butylbenzenesulfonamide
CID 22775272
N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 54422593
5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoate
CID 7040597
N-(4-butyl-2-nitrophenyl)-4-methylbenzenesulfonamide
CID 169370021
4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683735
1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 3515825

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibutyl-4-hydroxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3,5-dibutyl-4-hydroxyphenyl)-4-methylbenzenesulfonamide (CID 142633265) is N-(3,5-dibutyl-4-hydroxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,5-dibutyl-4-hydroxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3,5-dibutyl-4-hydroxyphenyl)-4-methylbenzenesulfonamide is CCCCc1cc(NS(=O)(=O)c2ccc(C)cc2)cc(CCCC)c1O.
What is the InChIKey of N-(3,5-dibutyl-4-hydroxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is UQUSGZAIAXJJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3S/c1-4-6-8-17-14-19(15-18(21(17)23)9-7-5-2)22-26(24,25)20-12-10-16(3)11-13-20/h10-15,22-23H,4-9H2,1-3H3.
What are the key properties of N-(3,5-dibutyl-4-hydroxyphenyl)-4-methylbenzenesulfonamide?
N-(3,5-dibutyl-4-hydroxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 375.53 g/mol, XLogP of 5.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibutyl-4-hydroxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 142633265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).