3-chloro-4-(cyclopropylsulfonylamino)benzoic acid

C10H10ClNO4S — CID 64552202

IUPAC3-chloro-4-(cyclopropylsulfonylamino)benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)C2CC2)c(Cl)c1
InChIInChI=1S/C10H10ClNO4S/c11-8-5-6(10(13)14)1-4-9(8)12-17(15,16)7-2-3-7/h1,4-5,7,12H,2-3H2,(H,13,14)
InChIKeyVTVWJLJTXMQKKJ-UHFFFAOYSA-N
MW275.71 g/mol
LogP1.94
Rot. Bonds4

About 3-chloro-4-(cyclopropylsulfonylamino)benzoic acid

3-chloro-4-(cyclopropylsulfonylamino)benzoic acid (PubChem CID 64552202) has the molecular formula C10H10ClNO4S and a molecular weight of 275.71 g/mol. Its IUPAC name is 3-chloro-4-(cyclopropylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name3-chloro-4-(cyclopropylsulfonylamino)benzoic acid
PubChem CID64552202
Molecular FormulaC10H10ClNO4S
Molecular Weight275.71 g/mol
Exact Mass275.00
IUPAC Name3-chloro-4-(cyclopropylsulfonylamino)benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)C2CC2)c(Cl)c1
InChIInChI=1S/C10H10ClNO4S/c11-8-5-6(10(13)14)1-4-9(8)12-17(15,16)7-2-3-7/h1,4-5,7,12H,2-3H2,(H,13,14)
InChIKeyVTVWJLJTXMQKKJ-UHFFFAOYSA-N
XLogP1.94
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-(cyclohexylsulfonylamino)benzoic acid
CID 63117178
3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 107810036
N-(2-chloro-4-cyanophenyl)cyclopropanesulfonamide
CID 104693388
2-chloro-5-(cyclopropylsulfonylamino)benzoic acid
CID 62998220
3-chloro-4-(1-methylsulfonylpropan-2-ylamino)benzoic acid
CID 64642114
2-chloro-6-(cyclohexylsulfonylamino)benzoic acid
CID 63724305
1-[6-chloro-5-(cyclopropylsulfonylamino)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid
CID 66937255
4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide
CID 92685822
2-(cyclopropylsulfonylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348399
3-chloro-4-(1-cyclopropylpropan-2-ylamino)benzoic acid
CID 63995015
3-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid
CID 106364831
methyl 3-chloro-4-(methanesulfonamido)benzoate
CID 91671526

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(cyclopropylsulfonylamino)benzoic acid?
The IUPAC name of 3-chloro-4-(cyclopropylsulfonylamino)benzoic acid (CID 64552202) is 3-chloro-4-(cyclopropylsulfonylamino)benzoic acid.
What is the SMILES notation for 3-chloro-4-(cyclopropylsulfonylamino)benzoic acid?
The canonical SMILES for 3-chloro-4-(cyclopropylsulfonylamino)benzoic acid is O=C(O)c1ccc(NS(=O)(=O)C2CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(cyclopropylsulfonylamino)benzoic acid?
The InChIKey is VTVWJLJTXMQKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4S/c11-8-5-6(10(13)14)1-4-9(8)12-17(15,16)7-2-3-7/h1,4-5,7,12H,2-3H2,(H,13,14).
What are the key properties of 3-chloro-4-(cyclopropylsulfonylamino)benzoic acid?
3-chloro-4-(cyclopropylsulfonylamino)benzoic acid has a molecular weight of 275.71 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(cyclopropylsulfonylamino)benzoic acid is sourced from PubChem (CID 64552202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).