N-(3-amino-2,2-difluoropropyl)-5-chlorothiophene-2-sulfonamide

C7H9ClF2N2O2S2 — CID 114384052

IUPACN-(3-amino-2,2-difluoropropyl)-5-chlorothiophene-2-sulfonamide
SMILESNCC(F)(F)CNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C7H9ClF2N2O2S2/c8-5-1-2-6(15-5)16(13,14)12-4-7(9,10)3-11/h1-2,12H,3-4,11H2
InChIKeyBWQPTPMOHRQUIB-UHFFFAOYSA-N
MW290.74 g/mol
LogP1.27
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-5-chlorothiophene-2-sulfonamide

N-(3-amino-2,2-difluoropropyl)-5-chlorothiophene-2-sulfonamide (PubChem CID 114384052) has the molecular formula C7H9ClF2N2O2S2 and a molecular weight of 290.74 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-5-chlorothiophene-2-sulfonamide
PubChem CID114384052
Molecular FormulaC7H9ClF2N2O2S2
Molecular Weight290.74 g/mol
Exact Mass289.98
IUPAC NameN-(3-amino-2,2-difluoropropyl)-5-chlorothiophene-2-sulfonamide
SMILESNCC(F)(F)CNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C7H9ClF2N2O2S2/c8-5-1-2-6(15-5)16(13,14)12-4-7(9,10)3-11/h1-2,12H,3-4,11H2
InChIKeyBWQPTPMOHRQUIB-UHFFFAOYSA-N
XLogP1.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[3-(dimethylamino)propyl]thiophene-2-sulfonamide
CID 2099187
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
5-chloro-N-methylthiophene-2-sulfonamide
CID 19684301
5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-sulfonamide
CID 2104271
5-chloro-N-propan-2-ylthiophene-2-sulfonamide
CID 6621293
N-(2-aminoethyl)-5-chlorothiophene-2-sulfonamide hydrochloride
CID 71756943
5-chloro-N-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide
CID 58952997
5-chloro-N-[(3R)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide
CID 58953001
sodium 5-chloro-N-[(2R)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
CID 145733938
5-chloro-N-[(2S)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
CID 173127983
2,5-dichloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)thiophene-3-sulfonamide
CID 3824178
5-chloro-N-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
CID 87610068

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-5-chlorothiophene-2-sulfonamide (CID 114384052) is N-(3-amino-2,2-difluoropropyl)-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-5-chlorothiophene-2-sulfonamide is NCC(F)(F)CNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-5-chlorothiophene-2-sulfonamide?
The InChIKey is BWQPTPMOHRQUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2N2O2S2/c8-5-1-2-6(15-5)16(13,14)12-4-7(9,10)3-11/h1-2,12H,3-4,11H2.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-5-chlorothiophene-2-sulfonamide?
N-(3-amino-2,2-difluoropropyl)-5-chlorothiophene-2-sulfonamide has a molecular weight of 290.74 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 114384052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).