2-(cyclopropylmethylsulfonylamino)-5-hydroxybenzoic acid

C11H13NO5S — CID 64987916

IUPAC2-(cyclopropylmethylsulfonylamino)-5-hydroxybenzoic acid
SMILESO=C(O)c1cc(O)ccc1NS(=O)(=O)CC1CC1
InChIInChI=1S/C11H13NO5S/c13-8-3-4-10(9(5-8)11(14)15)12-18(16,17)6-7-1-2-7/h3-5,7,12-13H,1-2,6H2,(H,14,15)
InChIKeyWEDSKMXZALSRPT-UHFFFAOYSA-N
MW271.29 g/mol
LogP1.24
Rot. Bonds5

About 2-(cyclopropylmethylsulfonylamino)-5-hydroxybenzoic acid

2-(cyclopropylmethylsulfonylamino)-5-hydroxybenzoic acid (PubChem CID 64987916) has the molecular formula C11H13NO5S and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-(cyclopropylmethylsulfonylamino)-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylsulfonylamino)-5-hydroxybenzoic acid
PubChem CID64987916
Molecular FormulaC11H13NO5S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Name2-(cyclopropylmethylsulfonylamino)-5-hydroxybenzoic acid
SMILESO=C(O)c1cc(O)ccc1NS(=O)(=O)CC1CC1
InChIInChI=1S/C11H13NO5S/c13-8-3-4-10(9(5-8)11(14)15)12-18(16,17)6-7-1-2-7/h3-5,7,12-13H,1-2,6H2,(H,14,15)
InChIKeyWEDSKMXZALSRPT-UHFFFAOYSA-N
XLogP1.24
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-2-(methanesulfonamido)benzoic acid
CID 61406346
3-amino-4-(cyclopropylmethylsulfonylamino)benzoic acid
CID 64987527
4-(cyclopropylmethylsulfonylamino)-3-methylbenzoic acid
CID 64987418
5-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79594362
N-(2-acetyl-4-hydroxyphenyl)-1-(oxan-2-yl)methanesulfonamide
CID 122142969
3-chloro-2-(cyclopropylmethylsulfonylamino)benzoic acid
CID 104933689
2-(cyclohexylmethylsulfonylamino)-4-fluorobenzoic acid
CID 61453916
2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 63956066
2-(diethylsulfamoylamino)-5-hydroxybenzoic acid
CID 61405743
2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-5-hydroxybenzoic acid
CID 61458893
5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid
CID 114462428
1-cyclopropyl-N-(2-hydroxy-4-nitrophenyl)methanesulfonamide
CID 107745957

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylsulfonylamino)-5-hydroxybenzoic acid?
The IUPAC name of 2-(cyclopropylmethylsulfonylamino)-5-hydroxybenzoic acid (CID 64987916) is 2-(cyclopropylmethylsulfonylamino)-5-hydroxybenzoic acid.
What is the SMILES notation for 2-(cyclopropylmethylsulfonylamino)-5-hydroxybenzoic acid?
The canonical SMILES for 2-(cyclopropylmethylsulfonylamino)-5-hydroxybenzoic acid is O=C(O)c1cc(O)ccc1NS(=O)(=O)CC1CC1.
What is the InChIKey of 2-(cyclopropylmethylsulfonylamino)-5-hydroxybenzoic acid?
The InChIKey is WEDSKMXZALSRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S/c13-8-3-4-10(9(5-8)11(14)15)12-18(16,17)6-7-1-2-7/h3-5,7,12-13H,1-2,6H2,(H,14,15).
What are the key properties of 2-(cyclopropylmethylsulfonylamino)-5-hydroxybenzoic acid?
2-(cyclopropylmethylsulfonylamino)-5-hydroxybenzoic acid has a molecular weight of 271.29 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylsulfonylamino)-5-hydroxybenzoic acid is sourced from PubChem (CID 64987916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).