2-(3-sulfamoylanilino)acetic acid

C8H10N2O4S — CID 44576581

IUPAC2-(3-sulfamoylanilino)acetic acid
SMILESNS(=O)(=O)c1cccc(NCC(=O)O)c1
InChIInChI=1S/C8H10N2O4S/c9-15(13,14)7-3-1-2-6(4-7)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)(H2,9,13,14)
InChIKeyMXDHXJIVHALWQH-UHFFFAOYSA-N
MW230.24 g/mol
LogP-0.17
Rot. Bonds4

About 2-(3-sulfamoylanilino)acetic acid

2-(3-sulfamoylanilino)acetic acid (PubChem CID 44576581) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-(3-sulfamoylanilino)acetic acid.

Molecular Properties

Compound Name2-(3-sulfamoylanilino)acetic acid
PubChem CID44576581
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Name2-(3-sulfamoylanilino)acetic acid
SMILESNS(=O)(=O)c1cccc(NCC(=O)O)c1
InChIInChI=1S/C8H10N2O4S/c9-15(13,14)7-3-1-2-6(4-7)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)(H2,9,13,14)
InChIKeyMXDHXJIVHALWQH-UHFFFAOYSA-N
XLogP-0.17
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-sulfamoylanilino)acetic acid?
The IUPAC name of 2-(3-sulfamoylanilino)acetic acid (CID 44576581) is 2-(3-sulfamoylanilino)acetic acid.
What is the SMILES notation for 2-(3-sulfamoylanilino)acetic acid?
The canonical SMILES for 2-(3-sulfamoylanilino)acetic acid is NS(=O)(=O)c1cccc(NCC(=O)O)c1.
What is the InChIKey of 2-(3-sulfamoylanilino)acetic acid?
The InChIKey is MXDHXJIVHALWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c9-15(13,14)7-3-1-2-6(4-7)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)(H2,9,13,14).
What are the key properties of 2-(3-sulfamoylanilino)acetic acid?
2-(3-sulfamoylanilino)acetic acid has a molecular weight of 230.24 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-sulfamoylanilino)acetic acid is sourced from PubChem (CID 44576581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).