N,2-dimethyl-N-phenylpropane-1-sulfonamide

C11H17NO2S — CID 54465644

IUPACN,2-dimethyl-N-phenylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C11H17NO2S/c1-10(2)9-15(13,14)12(3)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyCEVQTCAOUQTDDX-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.11
Rot. Bonds4

About N,2-dimethyl-N-phenylpropane-1-sulfonamide

N,2-dimethyl-N-phenylpropane-1-sulfonamide (PubChem CID 54465644) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N,2-dimethyl-N-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-N-phenylpropane-1-sulfonamide
PubChem CID54465644
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN,2-dimethyl-N-phenylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C11H17NO2S/c1-10(2)9-15(13,14)12(3)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyCEVQTCAOUQTDDX-UHFFFAOYSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide
CID 79580450
2-methyl-3-[methyl(phenyl)sulfamoyl]propanoic acid
CID 18522092
2-[methyl(phenyl)sulfamoyl]acetic acid
CID 28773465
1-cyano-N-methyl-N-phenylmethanesulfonamide
CID 60711469
N-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973831
4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide
CID 925037
sodium N-methyl-N-phenylsulfamate
CID 23690703
N'-hydroxy-3-[N-(2-methylpropylsulfonyl)anilino]propanimidamide
CID 77045007
3-chloro-N,2-dimethyl-N-pyridin-3-ylpropane-1-sulfonamide
CID 79585711
1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide
CID 60979524
N-(5-amino-2-pyridinyl)-N,2-dimethylpropane-1-sulfonamide
CID 115273778
N-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide
CID 110342924

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-phenylpropane-1-sulfonamide?
The IUPAC name of N,2-dimethyl-N-phenylpropane-1-sulfonamide (CID 54465644) is N,2-dimethyl-N-phenylpropane-1-sulfonamide.
What is the SMILES notation for N,2-dimethyl-N-phenylpropane-1-sulfonamide?
The canonical SMILES for N,2-dimethyl-N-phenylpropane-1-sulfonamide is CC(C)CS(=O)(=O)N(C)c1ccccc1.
What is the InChIKey of N,2-dimethyl-N-phenylpropane-1-sulfonamide?
The InChIKey is CEVQTCAOUQTDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-10(2)9-15(13,14)12(3)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of N,2-dimethyl-N-phenylpropane-1-sulfonamide?
N,2-dimethyl-N-phenylpropane-1-sulfonamide has a molecular weight of 227.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-phenylpropane-1-sulfonamide is sourced from PubChem (CID 54465644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).