5-chloro-N-(1-cyanopropan-2-yl)-4-methylthiophene-2-sulfonamide

C9H11ClN2O2S2 — CID 103099943

IUPAC5-chloro-N-(1-cyanopropan-2-yl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)CC#N)sc1Cl
InChIInChI=1S/C9H11ClN2O2S2/c1-6-5-8(15-9(6)10)16(13,14)12-7(2)3-4-11/h5,7,12H,3H2,1-2H3
InChIKeyRJBZQWILPOHVHG-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.29
Rot. Bonds4

About 5-chloro-N-(1-cyanopropan-2-yl)-4-methylthiophene-2-sulfonamide

5-chloro-N-(1-cyanopropan-2-yl)-4-methylthiophene-2-sulfonamide (PubChem CID 103099943) has the molecular formula C9H11ClN2O2S2 and a molecular weight of 278.79 g/mol. Its IUPAC name is 5-chloro-N-(1-cyanopropan-2-yl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyanopropan-2-yl)-4-methylthiophene-2-sulfonamide
PubChem CID103099943
Molecular FormulaC9H11ClN2O2S2
Molecular Weight278.79 g/mol
Exact Mass278.00
IUPAC Name5-chloro-N-(1-cyanopropan-2-yl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)CC#N)sc1Cl
InChIInChI=1S/C9H11ClN2O2S2/c1-6-5-8(15-9(6)10)16(13,14)12-7(2)3-4-11/h5,7,12H,3H2,1-2H3
InChIKeyRJBZQWILPOHVHG-UHFFFAOYSA-N
XLogP2.29
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 120714003
methyl 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoate
CID 103100554
5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide
CID 103100218
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pentanedioic acid
CID 103099643
N-(2-bromo-1-phenylethyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103100783
tert-butyl (2R)-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoate
CID 103100600
(2R)-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanedioic acid
CID 107266601
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanoic acid
CID 103099825
N-(1-cyanopropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 62092270
4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 106079604
4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide
CID 62090104
5-(1-cyanopropan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid
CID 62093728

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyanopropan-2-yl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(1-cyanopropan-2-yl)-4-methylthiophene-2-sulfonamide (CID 103099943) is 5-chloro-N-(1-cyanopropan-2-yl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1-cyanopropan-2-yl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(1-cyanopropan-2-yl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC(C)CC#N)sc1Cl.
What is the InChIKey of 5-chloro-N-(1-cyanopropan-2-yl)-4-methylthiophene-2-sulfonamide?
The InChIKey is RJBZQWILPOHVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S2/c1-6-5-8(15-9(6)10)16(13,14)12-7(2)3-4-11/h5,7,12H,3H2,1-2H3.
What are the key properties of 5-chloro-N-(1-cyanopropan-2-yl)-4-methylthiophene-2-sulfonamide?
5-chloro-N-(1-cyanopropan-2-yl)-4-methylthiophene-2-sulfonamide has a molecular weight of 278.79 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyanopropan-2-yl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 103099943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).