2-amino-N-[2-(methanesulfonamido)ethyl]-5-nitrobenzamide

C10H14N4O5S — CID 62155328

IUPAC2-amino-N-[2-(methanesulfonamido)ethyl]-5-nitrobenzamide
SMILESCS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C10H14N4O5S/c1-20(18,19)13-5-4-12-10(15)8-6-7(14(16)17)2-3-9(8)11/h2-3,6,13H,4-5,11H2,1H3,(H,12,15)
InChIKeyMUISXDQIKPZHFH-UHFFFAOYSA-N
MW302.31 g/mol
LogP-0.54
Rot. Bonds6

About 2-amino-N-[2-(methanesulfonamido)ethyl]-5-nitrobenzamide

2-amino-N-[2-(methanesulfonamido)ethyl]-5-nitrobenzamide (PubChem CID 62155328) has the molecular formula C10H14N4O5S and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-amino-N-[2-(methanesulfonamido)ethyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(methanesulfonamido)ethyl]-5-nitrobenzamide
PubChem CID62155328
Molecular FormulaC10H14N4O5S
Molecular Weight302.31 g/mol
Exact Mass302.07
IUPAC Name2-amino-N-[2-(methanesulfonamido)ethyl]-5-nitrobenzamide
SMILESCS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C10H14N4O5S/c1-20(18,19)13-5-4-12-10(15)8-6-7(14(16)17)2-3-9(8)11/h2-3,6,13H,4-5,11H2,1H3,(H,12,15)
InChIKeyMUISXDQIKPZHFH-UHFFFAOYSA-N
XLogP-0.54
TPSA144.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N-[2-(methanesulfonamido)ethyl]-4-nitrobenzamide
CID 40718557
2-amino-N-(3-methylsulfanylpropyl)-5-nitrobenzamide
CID 63961663
3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide
CID 61209537
2-amino-N-(3-ethoxypropyl)-5-nitrobenzamide
CID 22467524
2-amino-N-(1-methylsulfonylpropan-2-yl)-5-nitrobenzamide
CID 64643080
2-amino-N-(3-butoxypropyl)-5-nitrobenzamide
CID 115597224
2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 62072619
2-chloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-5-nitrobenzamide
CID 33340755
2-amino-N-(2,2-dimethylbutyl)-5-nitrobenzamide
CID 103464488
2-bromo-N-[2-(ethylsulfamoyl)ethyl]-5-nitrobenzamide
CID 106336133
2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-5-nitrobenzamide
CID 102977008
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-nitrobenzamide
CID 104877746

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(methanesulfonamido)ethyl]-5-nitrobenzamide?
The IUPAC name of 2-amino-N-[2-(methanesulfonamido)ethyl]-5-nitrobenzamide (CID 62155328) is 2-amino-N-[2-(methanesulfonamido)ethyl]-5-nitrobenzamide.
What is the SMILES notation for 2-amino-N-[2-(methanesulfonamido)ethyl]-5-nitrobenzamide?
The canonical SMILES for 2-amino-N-[2-(methanesulfonamido)ethyl]-5-nitrobenzamide is CS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of 2-amino-N-[2-(methanesulfonamido)ethyl]-5-nitrobenzamide?
The InChIKey is MUISXDQIKPZHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5S/c1-20(18,19)13-5-4-12-10(15)8-6-7(14(16)17)2-3-9(8)11/h2-3,6,13H,4-5,11H2,1H3,(H,12,15).
What are the key properties of 2-amino-N-[2-(methanesulfonamido)ethyl]-5-nitrobenzamide?
2-amino-N-[2-(methanesulfonamido)ethyl]-5-nitrobenzamide has a molecular weight of 302.31 g/mol, XLogP of -0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(methanesulfonamido)ethyl]-5-nitrobenzamide is sourced from PubChem (CID 62155328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).