N-[2-(4-fluorophenyl)propan-2-yl]-4-methylbenzenesulfonamide

C16H18FNO2S — CID 110440972

IUPACN-[2-(4-fluorophenyl)propan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO2S/c1-12-4-10-15(11-5-12)21(19,20)18-16(2,3)13-6-8-14(17)9-7-13/h4-11,18H,1-3H3
InChIKeyLWTNQQBGCCYZED-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.35
Rot. Bonds4

About N-[2-(4-fluorophenyl)propan-2-yl]-4-methylbenzenesulfonamide

N-[2-(4-fluorophenyl)propan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 110440972) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)propan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)propan-2-yl]-4-methylbenzenesulfonamide
PubChem CID110440972
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC NameN-[2-(4-fluorophenyl)propan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO2S/c1-12-4-10-15(11-5-12)21(19,20)18-16(2,3)13-6-8-14(17)9-7-13/h4-11,18H,1-3H3
InChIKeyLWTNQQBGCCYZED-UHFFFAOYSA-N
XLogP3.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide
CID 110440463
N-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113091816
N-[2-(3-chlorophenyl)propan-2-yl]-4-fluorobenzenesulfonamide
CID 110446078
4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide
CID 101403953
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(4-methylphenyl)sulfonylurea
CID 110291410
4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide
CID 75458388
N-[2-(4-bromophenyl)propan-2-yl]-4-nitrobenzenesulfonamide
CID 39703771
N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide
CID 86230028
N-[1-bromo-2-(4-chlorophenyl)propan-2-yl]-4-methylbenzenesulfonamide
CID 11774034
N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 869818

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)propan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)propan-2-yl]-4-methylbenzenesulfonamide (CID 110440972) is N-[2-(4-fluorophenyl)propan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)propan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)propan-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)(C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)propan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is LWTNQQBGCCYZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-12-4-10-15(11-5-12)21(19,20)18-16(2,3)13-6-8-14(17)9-7-13/h4-11,18H,1-3H3.
What are the key properties of N-[2-(4-fluorophenyl)propan-2-yl]-4-methylbenzenesulfonamide?
N-[2-(4-fluorophenyl)propan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 307.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)propan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 110440972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).