2-methyl-N-[4-(methylamino)phenyl]propane-2-sulfonamide

C11H18N2O2S — CID 63689740

IUPAC2-methyl-N-[4-(methylamino)phenyl]propane-2-sulfonamide
SMILESCNc1ccc(NS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C11H18N2O2S/c1-11(2,3)16(14,15)13-10-7-5-9(12-4)6-8-10/h5-8,12-13H,1-4H3
InChIKeyUTMSRDGNOIWOTD-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.27
Rot. Bonds3

About 2-methyl-N-[4-(methylamino)phenyl]propane-2-sulfonamide

2-methyl-N-[4-(methylamino)phenyl]propane-2-sulfonamide (PubChem CID 63689740) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-methyl-N-[4-(methylamino)phenyl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[4-(methylamino)phenyl]propane-2-sulfonamide
PubChem CID63689740
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-methyl-N-[4-(methylamino)phenyl]propane-2-sulfonamide
SMILESCNc1ccc(NS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C11H18N2O2S/c1-11(2,3)16(14,15)13-10-7-5-9(12-4)6-8-10/h5-8,12-13H,1-4H3
InChIKeyUTMSRDGNOIWOTD-UHFFFAOYSA-N
XLogP2.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115274638
N-[4-(2-bromoethyl)phenyl]-2-methylpropane-2-sulfonamide
CID 114296474
N-[4-(ethylaminomethyl)phenyl]-2-methylpropane-2-sulfonamide
CID 106911292
N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70938934
1,1-difluoro-N-[4-(methylamino)phenyl]methanesulfonamide
CID 43604018
2-[4-(tert-butylsulfonylamino)phenyl]-N'-hydroxyethanimidamide
CID 77017156
4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide
CID 20629931
N-[4-[(3,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939425
1-(diethylsulfamoylamino)-4-(methylamino)benzene
CID 43604119
N-[4-[(3-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939384
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide
CID 63902148
N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(methylamino)phenyl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[4-(methylamino)phenyl]propane-2-sulfonamide (CID 63689740) is 2-methyl-N-[4-(methylamino)phenyl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[4-(methylamino)phenyl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[4-(methylamino)phenyl]propane-2-sulfonamide is CNc1ccc(NS(=O)(=O)C(C)(C)C)cc1.
What is the InChIKey of 2-methyl-N-[4-(methylamino)phenyl]propane-2-sulfonamide?
The InChIKey is UTMSRDGNOIWOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-11(2,3)16(14,15)13-10-7-5-9(12-4)6-8-10/h5-8,12-13H,1-4H3.
What are the key properties of 2-methyl-N-[4-(methylamino)phenyl]propane-2-sulfonamide?
2-methyl-N-[4-(methylamino)phenyl]propane-2-sulfonamide has a molecular weight of 242.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(methylamino)phenyl]propane-2-sulfonamide is sourced from PubChem (CID 63689740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).