2-[1-[(5-chloro-2-methylthiophen-3-yl)sulfonylamino]cyclopropyl]acetic acid

C10H12ClNO4S2 — CID 166283596

IUPAC2-[1-[(5-chloro-2-methylthiophen-3-yl)sulfonylamino]cyclopropyl]acetic acid
SMILESCc1sc(Cl)cc1S(=O)(=O)NC1(CC(=O)O)CC1
InChIInChI=1S/C10H12ClNO4S2/c1-6-7(4-8(11)17-6)18(15,16)12-10(2-3-10)5-9(13)14/h4,12H,2-3,5H2,1H3,(H,13,14)
InChIKeyKADGYDSYEIXOBP-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.00
Rot. Bonds5

About 2-[1-[(5-chloro-2-methylthiophen-3-yl)sulfonylamino]cyclopropyl]acetic acid

2-[1-[(5-chloro-2-methylthiophen-3-yl)sulfonylamino]cyclopropyl]acetic acid (PubChem CID 166283596) has the molecular formula C10H12ClNO4S2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-[1-[(5-chloro-2-methylthiophen-3-yl)sulfonylamino]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-chloro-2-methylthiophen-3-yl)sulfonylamino]cyclopropyl]acetic acid
PubChem CID166283596
Molecular FormulaC10H12ClNO4S2
Molecular Weight309.80 g/mol
Exact Mass308.99
IUPAC Name2-[1-[(5-chloro-2-methylthiophen-3-yl)sulfonylamino]cyclopropyl]acetic acid
SMILESCc1sc(Cl)cc1S(=O)(=O)NC1(CC(=O)O)CC1
InChIInChI=1S/C10H12ClNO4S2/c1-6-7(4-8(11)17-6)18(15,16)12-10(2-3-10)5-9(13)14/h4,12H,2-3,5H2,1H3,(H,13,14)
InChIKeyKADGYDSYEIXOBP-UHFFFAOYSA-N
XLogP2.00
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64671577
2-[1-[(2,5-dibromothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64672751
2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79845918
2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79844855
2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid
CID 166283600
2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentyl]acetic acid
CID 103414272
N-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide
CID 106298861
2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79845498
2-[1-[[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81165466
2-[1-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]cyclobutyl]acetic acid
CID 80735922
2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid
CID 64701151
1-[(2,5-dimethylthiophen-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 43238264

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chloro-2-methylthiophen-3-yl)sulfonylamino]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(5-chloro-2-methylthiophen-3-yl)sulfonylamino]cyclopropyl]acetic acid (CID 166283596) is 2-[1-[(5-chloro-2-methylthiophen-3-yl)sulfonylamino]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(5-chloro-2-methylthiophen-3-yl)sulfonylamino]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(5-chloro-2-methylthiophen-3-yl)sulfonylamino]cyclopropyl]acetic acid is Cc1sc(Cl)cc1S(=O)(=O)NC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(5-chloro-2-methylthiophen-3-yl)sulfonylamino]cyclopropyl]acetic acid?
The InChIKey is KADGYDSYEIXOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S2/c1-6-7(4-8(11)17-6)18(15,16)12-10(2-3-10)5-9(13)14/h4,12H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 2-[1-[(5-chloro-2-methylthiophen-3-yl)sulfonylamino]cyclopropyl]acetic acid?
2-[1-[(5-chloro-2-methylthiophen-3-yl)sulfonylamino]cyclopropyl]acetic acid has a molecular weight of 309.80 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chloro-2-methylthiophen-3-yl)sulfonylamino]cyclopropyl]acetic acid is sourced from PubChem (CID 166283596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).