N-[3-[methyl(methylsulfonyl)amino]phenyl]thiophene-2-sulfonamide

C12H14N2O4S3 — CID 970267

IUPACN-[3-[methyl(methylsulfonyl)amino]phenyl]thiophene-2-sulfonamide
SMILESCN(c1cccc(NS(=O)(=O)c2cccs2)c1)S(C)(=O)=O
InChIInChI=1S/C12H14N2O4S3/c1-14(20(2,15)16)11-6-3-5-10(9-11)13-21(17,18)12-7-4-8-19-12/h3-9,13H,1-2H3
InChIKeyCGGIPOQJIHTHJD-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.94
Rot. Bonds5

About N-[3-[methyl(methylsulfonyl)amino]phenyl]thiophene-2-sulfonamide

N-[3-[methyl(methylsulfonyl)amino]phenyl]thiophene-2-sulfonamide (PubChem CID 970267) has the molecular formula C12H14N2O4S3 and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[3-[methyl(methylsulfonyl)amino]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[methyl(methylsulfonyl)amino]phenyl]thiophene-2-sulfonamide
PubChem CID970267
Molecular FormulaC12H14N2O4S3
Molecular Weight346.46 g/mol
Exact Mass346.01
IUPAC NameN-[3-[methyl(methylsulfonyl)amino]phenyl]thiophene-2-sulfonamide
SMILESCN(c1cccc(NS(=O)(=O)c2cccs2)c1)S(C)(=O)=O
InChIInChI=1S/C12H14N2O4S3/c1-14(20(2,15)16)11-6-3-5-10(9-11)13-21(17,18)12-7-4-8-19-12/h3-9,13H,1-2H3
InChIKeyCGGIPOQJIHTHJD-UHFFFAOYSA-N
XLogP1.94
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]thiophene-2-sulfonamide (CID 970267) is N-[3-[methyl(methylsulfonyl)amino]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[methyl(methylsulfonyl)amino]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[methyl(methylsulfonyl)amino]phenyl]thiophene-2-sulfonamide is CN(c1cccc(NS(=O)(=O)c2cccs2)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-[methyl(methylsulfonyl)amino]phenyl]thiophene-2-sulfonamide?
The InChIKey is CGGIPOQJIHTHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S3/c1-14(20(2,15)16)11-6-3-5-10(9-11)13-21(17,18)12-7-4-8-19-12/h3-9,13H,1-2H3.
What are the key properties of N-[3-[methyl(methylsulfonyl)amino]phenyl]thiophene-2-sulfonamide?
N-[3-[methyl(methylsulfonyl)amino]phenyl]thiophene-2-sulfonamide has a molecular weight of 346.46 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(methylsulfonyl)amino]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 970267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).