1-(5-chlorothiophen-3-yl)-N-propan-2-ylmethanesulfonamide

C8H12ClNO2S2 — CID 126637034

IUPAC1-(5-chlorothiophen-3-yl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1csc(Cl)c1
InChIInChI=1S/C8H12ClNO2S2/c1-6(2)10-14(11,12)5-7-3-8(9)13-4-7/h3-4,6,10H,5H2,1-2H3
InChIKeySRKBBPYROXQISW-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.23
Rot. Bonds4

About 1-(5-chlorothiophen-3-yl)-N-propan-2-ylmethanesulfonamide

1-(5-chlorothiophen-3-yl)-N-propan-2-ylmethanesulfonamide (PubChem CID 126637034) has the molecular formula C8H12ClNO2S2 and a molecular weight of 253.78 g/mol. Its IUPAC name is 1-(5-chlorothiophen-3-yl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(5-chlorothiophen-3-yl)-N-propan-2-ylmethanesulfonamide
PubChem CID126637034
Molecular FormulaC8H12ClNO2S2
Molecular Weight253.78 g/mol
Exact Mass253.00
IUPAC Name1-(5-chlorothiophen-3-yl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1csc(Cl)c1
InChIInChI=1S/C8H12ClNO2S2/c1-6(2)10-14(11,12)5-7-3-8(9)13-4-7/h3-4,6,10H,5H2,1-2H3
InChIKeySRKBBPYROXQISW-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(2-methylpropylsulfonylmethyl)thiophene;2-methyl-4-(2-methylpropylsulfonylmethyl)thiophene;3-(2-methylpropylsulfonylmethyl)thiophene;N-propan-2-yl-1-thiophen-2-ylmethanesulfonamide
CID 160560390
1-(2-chloro-4-methylphenyl)-N-propan-2-ylmethanesulfonamide
CID 140936519
2,4,6-trichloro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 55904772
N-methyl-1-(5-methylthiophen-3-yl)methanesulfonamide
CID 167065312
2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 55464498
1-(5-chloro-2-pyridinyl)-N-propan-2-ylmethanesulfonamide
CID 126637158
2-chloro-4-(nitrosomethyl)thiophene
CID 88926888
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 36607706
N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide
CID 18156175
2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 47015636
N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]ethanesulfonamide
CID 102976918
4-[[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122031179

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-3-yl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-(5-chlorothiophen-3-yl)-N-propan-2-ylmethanesulfonamide (CID 126637034) is 1-(5-chlorothiophen-3-yl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(5-chlorothiophen-3-yl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-(5-chlorothiophen-3-yl)-N-propan-2-ylmethanesulfonamide is CC(C)NS(=O)(=O)Cc1csc(Cl)c1.
What is the InChIKey of 1-(5-chlorothiophen-3-yl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is SRKBBPYROXQISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2S2/c1-6(2)10-14(11,12)5-7-3-8(9)13-4-7/h3-4,6,10H,5H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-3-yl)-N-propan-2-ylmethanesulfonamide?
1-(5-chlorothiophen-3-yl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 253.78 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-3-yl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 126637034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).