2-[(4-chlorophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid

C14H14ClNO4S2 — CID 59053390

IUPAC2-[(4-chlorophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1cccs1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO4S2/c15-11-3-5-13(6-4-11)22(19,20)16(10-14(17)18)8-7-12-2-1-9-21-12/h1-6,9H,7-8,10H2,(H,17,18)
InChIKeyDSUQFCWOFRNPCP-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.72
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid

2-[(4-chlorophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid (PubChem CID 59053390) has the molecular formula C14H14ClNO4S2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid
PubChem CID59053390
Molecular FormulaC14H14ClNO4S2
Molecular Weight359.86 g/mol
Exact Mass359.01
IUPAC Name2-[(4-chlorophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1cccs1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO4S2/c15-11-3-5-13(6-4-11)22(19,20)16(10-14(17)18)8-7-12-2-1-9-21-12/h1-6,9H,7-8,10H2,(H,17,18)
InChIKeyDSUQFCWOFRNPCP-UHFFFAOYSA-N
XLogP2.72
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-N-(2-thiophen-2-ylethyl)anilino]acetic acid
CID 63775345
2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid
CID 63775158
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 3926551
2-[(2,5-dimethylpyrazol-3-yl)sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid
CID 166266184
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetic acid
CID 4075266
2-[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4004907
2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4093220
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid
CID 1092328
3-[benzyl-(4-chlorophenyl)sulfonylamino]propanoic acid
CID 45472536
3-[(4-acetamidophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]-N-hydroxypropanamide
CID 23553791
N-benzyl-2-[butyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4562295
N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496094

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid (CID 59053390) is 2-[(4-chlorophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid is O=C(O)CN(CCc1cccs1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid?
The InChIKey is DSUQFCWOFRNPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4S2/c15-11-3-5-13(6-4-11)22(19,20)16(10-14(17)18)8-7-12-2-1-9-21-12/h1-6,9H,7-8,10H2,(H,17,18).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid?
2-[(4-chlorophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid has a molecular weight of 359.86 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid is sourced from PubChem (CID 59053390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).