4-amino-N-[3-(methanesulfonamido)phenyl]-3-nitrobenzamide

C14H14N4O5S — CID 38323018

IUPAC4-amino-N-[3-(methanesulfonamido)phenyl]-3-nitrobenzamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H14N4O5S/c1-24(22,23)17-11-4-2-3-10(8-11)16-14(19)9-5-6-12(15)13(7-9)18(20)21/h2-8,17H,15H2,1H3,(H,16,19)
InChIKeyCSWGGKPUGKWUPE-UHFFFAOYSA-N
MW350.36 g/mol
LogP1.80
Rot. Bonds5

About 4-amino-N-[3-(methanesulfonamido)phenyl]-3-nitrobenzamide

4-amino-N-[3-(methanesulfonamido)phenyl]-3-nitrobenzamide (PubChem CID 38323018) has the molecular formula C14H14N4O5S and a molecular weight of 350.36 g/mol. Its IUPAC name is 4-amino-N-[3-(methanesulfonamido)phenyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-amino-N-[3-(methanesulfonamido)phenyl]-3-nitrobenzamide
PubChem CID38323018
Molecular FormulaC14H14N4O5S
Molecular Weight350.36 g/mol
Exact Mass350.07
IUPAC Name4-amino-N-[3-(methanesulfonamido)phenyl]-3-nitrobenzamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H14N4O5S/c1-24(22,23)17-11-4-2-3-10(8-11)16-14(19)9-5-6-12(15)13(7-9)18(20)21/h2-8,17H,15H2,1H3,(H,16,19)
InChIKeyCSWGGKPUGKWUPE-UHFFFAOYSA-N
XLogP1.80
TPSA144.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide
CID 39265881
4-amino-N-(3-ethynylphenyl)-3-nitrobenzamide
CID 31812447
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-nitrobenzamide
CID 8921001
4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 60698538
lithium 3-[[3-(methanesulfonamido)phenyl]carbamoyl]benzenesulfonate
CID 20769669
4-amino-N-(3,5-dichlorophenyl)-3-nitrobenzamide
CID 60631186
4-amino-3-nitro-N-pyrimidin-5-ylbenzamide
CID 104862717
4-amino-N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 25140841
4-chloro-3-(methanesulfonamido)-N-(3-nitrophenyl)benzamide
CID 49014176
4-amino-N-[4-(hydroxymethyl)phenyl]-3-nitrobenzamide
CID 115885265
ethyl 4-[(4-amino-3-nitrobenzoyl)amino]benzoate
CID 8885571
4-amino-3-nitro-N-(4-propan-2-yloxyphenyl)benzamide
CID 60516646

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(methanesulfonamido)phenyl]-3-nitrobenzamide?
The IUPAC name of 4-amino-N-[3-(methanesulfonamido)phenyl]-3-nitrobenzamide (CID 38323018) is 4-amino-N-[3-(methanesulfonamido)phenyl]-3-nitrobenzamide.
What is the SMILES notation for 4-amino-N-[3-(methanesulfonamido)phenyl]-3-nitrobenzamide?
The canonical SMILES for 4-amino-N-[3-(methanesulfonamido)phenyl]-3-nitrobenzamide is CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 4-amino-N-[3-(methanesulfonamido)phenyl]-3-nitrobenzamide?
The InChIKey is CSWGGKPUGKWUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O5S/c1-24(22,23)17-11-4-2-3-10(8-11)16-14(19)9-5-6-12(15)13(7-9)18(20)21/h2-8,17H,15H2,1H3,(H,16,19).
What are the key properties of 4-amino-N-[3-(methanesulfonamido)phenyl]-3-nitrobenzamide?
4-amino-N-[3-(methanesulfonamido)phenyl]-3-nitrobenzamide has a molecular weight of 350.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(methanesulfonamido)phenyl]-3-nitrobenzamide is sourced from PubChem (CID 38323018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).