N-(benzhydrylideneamino)methanesulfonamide

C14H14N2O2S — CID 22613527

IUPACN-(benzhydrylideneamino)methanesulfonamide
SMILESCS(=O)(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14N2O2S/c1-19(17,18)16-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,16H,1H3
InChIKeyNFKWWXOBBYADJT-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.99
Rot. Bonds4

About N-(benzhydrylideneamino)methanesulfonamide

N-(benzhydrylideneamino)methanesulfonamide (PubChem CID 22613527) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(benzhydrylideneamino)methanesulfonamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)methanesulfonamide
PubChem CID22613527
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-(benzhydrylideneamino)methanesulfonamide
SMILESCS(=O)(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14N2O2S/c1-19(17,18)16-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,16H,1H3
InChIKeyNFKWWXOBBYADJT-UHFFFAOYSA-N
XLogP1.99
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide
CID 6383602
N-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide
CID 5333769
N-[(E)-[(3-hydroxyphenyl)-phenylmethylidene]amino]-4-methylbenzenesulfonamide
CID 16748552
N-(1-naphthalen-2-ylethylideneamino)methanesulfonamide
CID 867251
2-chloro-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]benzenesulfonamide
CID 155518237
N-(benzhydrylideneamino)-4-dodecylbenzenesulfonamide
CID 22613565
N-(benzhydrylideneamino)-5-chloro-2-(methanesulfonamido)benzamide
CID 60606311
cobalt;bis(methyl N-(benzhydrylideneamino)carbamodithioate)
CID 50910839
carbanide;N,1-diphenyl-1-phenylmethanimine;iridium;methanesulfonic acid
CID 162497302
[5-(2-benzhydrylidenehydrazinyl)-5-oxopentan-2-yl] methanesulfonate
CID 86658326
N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-nitrobenzenesulfonamide
CID 155512762
6-[(E)-N-(methanesulfonamido)-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]naphthalene-2-carboxylic acid
CID 10672321

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)methanesulfonamide?
The IUPAC name of N-(benzhydrylideneamino)methanesulfonamide (CID 22613527) is N-(benzhydrylideneamino)methanesulfonamide.
What is the SMILES notation for N-(benzhydrylideneamino)methanesulfonamide?
The canonical SMILES for N-(benzhydrylideneamino)methanesulfonamide is CS(=O)(=O)NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzhydrylideneamino)methanesulfonamide?
The InChIKey is NFKWWXOBBYADJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-19(17,18)16-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,16H,1H3.
What are the key properties of N-(benzhydrylideneamino)methanesulfonamide?
N-(benzhydrylideneamino)methanesulfonamide has a molecular weight of 274.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)methanesulfonamide is sourced from PubChem (CID 22613527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).