3-nitro-4-(3-sulfamoylpropylamino)benzamide

C10H14N4O5S — CID 61064383

IUPAC3-nitro-4-(3-sulfamoylpropylamino)benzamide
SMILESNC(=O)c1ccc(NCCCS(N)(=O)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H14N4O5S/c11-10(15)7-2-3-8(9(6-7)14(16)17)13-4-1-5-20(12,18)19/h2-3,6,13H,1,4-5H2,(H2,11,15)(H2,12,18,19)
InChIKeyKKEYNPGIVBFFNC-UHFFFAOYSA-N
MW302.31 g/mol
LogP-0.22
Rot. Bonds7

About 3-nitro-4-(3-sulfamoylpropylamino)benzamide

3-nitro-4-(3-sulfamoylpropylamino)benzamide (PubChem CID 61064383) has the molecular formula C10H14N4O5S and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-nitro-4-(3-sulfamoylpropylamino)benzamide.

Molecular Properties

Compound Name3-nitro-4-(3-sulfamoylpropylamino)benzamide
PubChem CID61064383
Molecular FormulaC10H14N4O5S
Molecular Weight302.31 g/mol
Exact Mass302.07
IUPAC Name3-nitro-4-(3-sulfamoylpropylamino)benzamide
SMILESNC(=O)c1ccc(NCCCS(N)(=O)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H14N4O5S/c11-10(15)7-2-3-8(9(6-7)14(16)17)13-4-1-5-20(12,18)19/h2-3,6,13H,1,4-5H2,(H2,11,15)(H2,12,18,19)
InChIKeyKKEYNPGIVBFFNC-UHFFFAOYSA-N
XLogP-0.22
TPSA158.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-3-(3-sulfamoylpropylamino)benzamide
CID 82995123
4-(3-methylsulfonylpropylamino)-3-nitrobenzamide
CID 61036619
4-(4-aminobutylamino)-3-nitrobenzamide
CID 60894350
3-(2,4-dinitroanilino)propane-1-sulfonamide
CID 61063868
4-(2-aminoethylamino)-3-nitrobenzamide;hydrochloride
CID 155577579
4-nitro-3-(3-sulfamoylpropylamino)benzoic acid
CID 82783956
4-(3-ethoxypropylamino)-3-nitrobenzamide
CID 43386231
4-[(2-amino-2-oxoethyl)amino]-3-nitrobenzamide
CID 43386342
4-(2-methoxyethylamino)-3-nitrobenzamide
CID 4883684
2-(4-carbamoyl-2-nitroanilino)acetic acid
CID 43386338
methyl 3-(4-carbamoyl-2-nitroanilino)propanoate
CID 26453888
4-[3-(2-methylpropoxy)propylamino]-3-nitrobenzamide
CID 26448987

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-(3-sulfamoylpropylamino)benzamide?
The IUPAC name of 3-nitro-4-(3-sulfamoylpropylamino)benzamide (CID 61064383) is 3-nitro-4-(3-sulfamoylpropylamino)benzamide.
What is the SMILES notation for 3-nitro-4-(3-sulfamoylpropylamino)benzamide?
The canonical SMILES for 3-nitro-4-(3-sulfamoylpropylamino)benzamide is NC(=O)c1ccc(NCCCS(N)(=O)=O)c([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-4-(3-sulfamoylpropylamino)benzamide?
The InChIKey is KKEYNPGIVBFFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5S/c11-10(15)7-2-3-8(9(6-7)14(16)17)13-4-1-5-20(12,18)19/h2-3,6,13H,1,4-5H2,(H2,11,15)(H2,12,18,19).
What are the key properties of 3-nitro-4-(3-sulfamoylpropylamino)benzamide?
3-nitro-4-(3-sulfamoylpropylamino)benzamide has a molecular weight of 302.31 g/mol, XLogP of -0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-(3-sulfamoylpropylamino)benzamide is sourced from PubChem (CID 61064383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).