5-[(difluoromethylsulfonylamino)methyl]thiophene-2-sulfonamide

C6H8F2N2O4S3 — CID 43173412

IUPAC5-[(difluoromethylsulfonylamino)methyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)C(F)F)s1
InChIInChI=1S/C6H8F2N2O4S3/c7-6(8)17(13,14)10-3-4-1-2-5(15-4)16(9,11)12/h1-2,6,10H,3H2,(H2,9,11,12)
InChIKeySNMIUSKGRYLWKY-UHFFFAOYSA-N
MW306.34 g/mol
LogP0.04
Rot. Bonds5

About 5-[(difluoromethylsulfonylamino)methyl]thiophene-2-sulfonamide

5-[(difluoromethylsulfonylamino)methyl]thiophene-2-sulfonamide (PubChem CID 43173412) has the molecular formula C6H8F2N2O4S3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 5-[(difluoromethylsulfonylamino)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(difluoromethylsulfonylamino)methyl]thiophene-2-sulfonamide
PubChem CID43173412
Molecular FormulaC6H8F2N2O4S3
Molecular Weight306.34 g/mol
Exact Mass305.96
IUPAC Name5-[(difluoromethylsulfonylamino)methyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)C(F)F)s1
InChIInChI=1S/C6H8F2N2O4S3/c7-6(8)17(13,14)10-3-4-1-2-5(15-4)16(9,11)12/h1-2,6,10H,3H2,(H2,9,11,12)
InChIKeySNMIUSKGRYLWKY-UHFFFAOYSA-N
XLogP0.04
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-Thienylmethyl)-2,5-Thiophenedisulfonamide
CID 4293
5-(Aminomethyl)thiophene-2-sulfonamide
CID 4961814
Benzenesulfonamide, N-(2-thienylmethyl)-
CID 2820601
US10807974, Example 3
CID 130345075
5-(2-Aminoethyl)thiophene-2-sulfonamide
CID 4961948
US10807974, Example 8
CID 130345054
US10807974, Example 53
CID 130345103
US10807974, Example 60
CID 130358502
5-(Aminomethyl)thiophene-2-sulfonamide hydrochloride
CID 16313695
5-(2-Aminoethyl)thiophene-2-sulfonamide hydrochloride
CID 20203298
(5-Methanesulfonylthiophen-2-yl)methanamine hydrochloride
CID 71756062
[5-(Ethanesulfonyl)thiophen-2-yl]methanamine hydrochloride
CID 91647541

Frequently Asked Questions

What is the IUPAC name of 5-[(difluoromethylsulfonylamino)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[(difluoromethylsulfonylamino)methyl]thiophene-2-sulfonamide (CID 43173412) is 5-[(difluoromethylsulfonylamino)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[(difluoromethylsulfonylamino)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[(difluoromethylsulfonylamino)methyl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(CNS(=O)(=O)C(F)F)s1.
What is the InChIKey of 5-[(difluoromethylsulfonylamino)methyl]thiophene-2-sulfonamide?
The InChIKey is SNMIUSKGRYLWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O4S3/c7-6(8)17(13,14)10-3-4-1-2-5(15-4)16(9,11)12/h1-2,6,10H,3H2,(H2,9,11,12).
What are the key properties of 5-[(difluoromethylsulfonylamino)methyl]thiophene-2-sulfonamide?
5-[(difluoromethylsulfonylamino)methyl]thiophene-2-sulfonamide has a molecular weight of 306.34 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(difluoromethylsulfonylamino)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 43173412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).