methyl 4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]sulfamoyl]benzoate

C14H14ClNO4S2 — CID 34154732

IUPACmethyl 4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H14ClNO4S2/c1-9(12-7-8-13(15)21-12)16-22(18,19)11-5-3-10(4-6-11)14(17)20-2/h3-9,16H,1-2H3/t9-/m0/s1
InChIKeyKYIQMQAMTIFXOA-VIFPVBQESA-N
MW359.86 g/mol
LogP3.23
Rot. Bonds5

About methyl 4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]sulfamoyl]benzoate

methyl 4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]sulfamoyl]benzoate (PubChem CID 34154732) has the molecular formula C14H14ClNO4S2 and a molecular weight of 359.86 g/mol. Its IUPAC name is methyl 4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]sulfamoyl]benzoate
PubChem CID34154732
Molecular FormulaC14H14ClNO4S2
Molecular Weight359.86 g/mol
Exact Mass359.01
IUPAC Namemethyl 4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H14ClNO4S2/c1-9(12-7-8-13(15)21-12)16-22(18,19)11-5-3-10(4-6-11)14(17)20-2/h3-9,16H,1-2H3/t9-/m0/s1
InChIKeyKYIQMQAMTIFXOA-VIFPVBQESA-N
XLogP3.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]sulfamoyl]benzoate 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

N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 46406758
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 46406797
3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 55627830
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168
methyl 4-chloro-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate
CID 43714756
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 61468700
methyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate
CID 43476805
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide
CID 61469000
5-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 43432380
methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoate
CID 17411637
methyl 4-[[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoyl]benzoate
CID 40855028

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]sulfamoyl]benzoate (CID 34154732) is methyl 4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)s2)cc1.
What is the InChIKey of methyl 4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]sulfamoyl]benzoate?
The InChIKey is KYIQMQAMTIFXOA-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14ClNO4S2/c1-9(12-7-8-13(15)21-12)16-22(18,19)11-5-3-10(4-6-11)14(17)20-2/h3-9,16H,1-2H3/t9-/m0/s1.
What are the key properties of methyl 4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]sulfamoyl]benzoate?
methyl 4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]sulfamoyl]benzoate has a molecular weight of 359.86 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]sulfamoyl]benzoate is sourced from PubChem (CID 34154732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).