N-[3-(methanesulfonamido)phenyl]formamide

C8H10N2O3S — CID 54434866

IUPACN-[3-(methanesulfonamido)phenyl]formamide
SMILESCS(=O)(=O)Nc1cccc(NC=O)c1
InChIInChI=1S/C8H10N2O3S/c1-14(12,13)10-8-4-2-3-7(5-8)9-6-11/h2-6,10H,1H3,(H,9,11)
InChIKeyZWYNEQKZRLRDOY-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.63
Rot. Bonds4

About N-[3-(methanesulfonamido)phenyl]formamide

N-[3-(methanesulfonamido)phenyl]formamide (PubChem CID 54434866) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)phenyl]formamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)phenyl]formamide
PubChem CID54434866
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC NameN-[3-(methanesulfonamido)phenyl]formamide
SMILESCS(=O)(=O)Nc1cccc(NC=O)c1
InChIInChI=1S/C8H10N2O3S/c1-14(12,13)10-8-4-2-3-7(5-8)9-6-11/h2-6,10H,1H3,(H,9,11)
InChIKeyZWYNEQKZRLRDOY-UHFFFAOYSA-N
XLogP0.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-oxopropyl)phenyl]methanesulfonamide
CID 57444373
N-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide
CID 54011314
lithium 3-(methanesulfonamido)benzenesulfonate
CID 58858821
N-[3-(1,2-dicyanoethenylamino)phenyl]methanesulfonamide
CID 67571264
N-[3-(4-oxobutan-2-yl)phenyl]methanesulfonamide
CID 117355560
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35540385
N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide
CID 169337738
N-[3-(cyclopentylamino)phenyl]methanesulfonamide
CID 28731342
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
CID 171098076
3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)phenyl]formamide?
The IUPAC name of N-[3-(methanesulfonamido)phenyl]formamide (CID 54434866) is N-[3-(methanesulfonamido)phenyl]formamide.
What is the SMILES notation for N-[3-(methanesulfonamido)phenyl]formamide?
The canonical SMILES for N-[3-(methanesulfonamido)phenyl]formamide is CS(=O)(=O)Nc1cccc(NC=O)c1.
What is the InChIKey of N-[3-(methanesulfonamido)phenyl]formamide?
The InChIKey is ZWYNEQKZRLRDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-14(12,13)10-8-4-2-3-7(5-8)9-6-11/h2-6,10H,1H3,(H,9,11).
What are the key properties of N-[3-(methanesulfonamido)phenyl]formamide?
N-[3-(methanesulfonamido)phenyl]formamide has a molecular weight of 214.25 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)phenyl]formamide is sourced from PubChem (CID 54434866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).