4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid

C10H14ClNO4S2 — CID 54875156

IUPAC4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid
SMILESCN(Cc1ccc(Cl)s1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H14ClNO4S2/c1-12(7-8-4-5-9(11)17-8)18(15,16)6-2-3-10(13)14/h4-5H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyTWICEFMPMOLQQB-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.03
Rot. Bonds7

About 4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid

4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid (PubChem CID 54875156) has the molecular formula C10H14ClNO4S2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid
PubChem CID54875156
Molecular FormulaC10H14ClNO4S2
Molecular Weight311.81 g/mol
Exact Mass311.01
IUPAC Name4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid
SMILESCN(Cc1ccc(Cl)s1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H14ClNO4S2/c1-12(7-8-4-5-9(11)17-8)18(15,16)6-2-3-10(13)14/h4-5H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyTWICEFMPMOLQQB-UHFFFAOYSA-N
XLogP2.03
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid
CID 43362034
4-[(4-chlorophenyl)methyl-methylsulfamoyl]butanoic acid
CID 43362117
6-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-oxohexanoic acid
CID 54874852
4-[furan-2-ylmethyl(methyl)sulfamoyl]butanoic acid
CID 43526884
4-[(5-bromothiophen-2-yl)methyl-ethylsulfamoyl]butanoic acid
CID 54875088
4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid
CID 106033208
7-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]heptanoic acid
CID 61440245
5-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]hexanoic acid
CID 82849068
6-(5-chlorothiophen-2-yl)hexanoic acid
CID 43446917
3-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 60709103
4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoic acid
CID 55013682
4-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 61440000

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid (CID 54875156) is 4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid is CN(Cc1ccc(Cl)s1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid?
The InChIKey is TWICEFMPMOLQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4S2/c1-12(7-8-4-5-9(11)17-8)18(15,16)6-2-3-10(13)14/h4-5H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of 4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid?
4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid has a molecular weight of 311.81 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid is sourced from PubChem (CID 54875156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).