4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid

C11H13NO5S — CID 43560583

IUPAC4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1cc(C(=O)O)ccc1OCC1CC1
InChIInChI=1S/C11H13NO5S/c12-18(15,16)10-5-8(11(13)14)3-4-9(10)17-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,13,14)(H2,12,15,16)
InChIKeyCJZIKPNYCXOSCU-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.82
Rot. Bonds5

About 4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid

4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid (PubChem CID 43560583) has the molecular formula C11H13NO5S and a molecular weight of 271.29 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid
PubChem CID43560583
Molecular FormulaC11H13NO5S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Name4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1cc(C(=O)O)ccc1OCC1CC1
InChIInChI=1S/C11H13NO5S/c12-18(15,16)10-5-8(11(13)14)3-4-9(10)17-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,13,14)(H2,12,15,16)
InChIKeyCJZIKPNYCXOSCU-UHFFFAOYSA-N
XLogP0.82
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxan-4-ylmethoxy)-3-sulfamoylbenzoic acid
CID 62386977
3,4-bis(cyclopropylmethoxy)benzoic acid
CID 102594223
4-[(5-methyloxolan-2-yl)methoxy]-3-sulfamoylbenzoic acid
CID 103135622
3-chlorosulfonyl-4-(cyclobutylmethoxy)benzoic acid
CID 65458945
2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate
CID 106207062
cyclopropylmethyl 4-methoxy-3-sulfamoylbenzoate
CID 65382037
4-but-2-ynoxy-3-sulfamoylbenzoic acid
CID 82921556
4-[2-(dimethylamino)-2-oxoethoxy]-3-sulfamoylbenzoic acid
CID 82921995
4-(2-methylidenebutoxy)-3-sulfamoylbenzoic acid
CID 82921849
4-amino-3-(cyclopentylmethoxy)benzoic acid
CID 61344123
4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide
CID 43560584
3-bromo-4-(cyclopropylmethoxy)benzamide
CID 138985778

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid?
The IUPAC name of 4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid (CID 43560583) is 4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid.
What is the SMILES notation for 4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid?
The canonical SMILES for 4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid is NS(=O)(=O)c1cc(C(=O)O)ccc1OCC1CC1.
What is the InChIKey of 4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid?
The InChIKey is CJZIKPNYCXOSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S/c12-18(15,16)10-5-8(11(13)14)3-4-9(10)17-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,13,14)(H2,12,15,16).
What are the key properties of 4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid?
4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid has a molecular weight of 271.29 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid is sourced from PubChem (CID 43560583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).