5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide

C9H14ClNO3S2 — CID 103100218

IUPAC5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCC(C)O)sc1Cl
InChIInChI=1S/C9H14ClNO3S2/c1-6-5-8(15-9(6)10)16(13,14)11-4-3-7(2)12/h5,7,11-12H,3-4H2,1-2H3
InChIKeyDLZURUSUHYVBPJ-UHFFFAOYSA-N
MW283.80 g/mol
LogP1.76
Rot. Bonds5

About 5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide

5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide (PubChem CID 103100218) has the molecular formula C9H14ClNO3S2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide
PubChem CID103100218
Molecular FormulaC9H14ClNO3S2
Molecular Weight283.80 g/mol
Exact Mass283.01
IUPAC Name5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCC(C)O)sc1Cl
InChIInChI=1S/C9H14ClNO3S2/c1-6-5-8(15-9(6)10)16(13,14)11-4-3-7(2)12/h5,7,11-12H,3-4H2,1-2H3
InChIKeyDLZURUSUHYVBPJ-UHFFFAOYSA-N
XLogP1.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 103215118
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 103099583
N-(4-bromobutyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 106846774
5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide
CID 103100201
5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide
CID 103270087
5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 103099828
5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 120714003
5-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide
CID 103100525
5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide
CID 128586351
4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide
CID 64913110
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide
CID 103100630
N-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride
CID 120711958

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide (CID 103100218) is 5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCCC(C)O)sc1Cl.
What is the InChIKey of 5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is DLZURUSUHYVBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO3S2/c1-6-5-8(15-9(6)10)16(13,14)11-4-3-7(2)12/h5,7,11-12H,3-4H2,1-2H3.
What are the key properties of 5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide?
5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 283.80 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 103100218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).