N-benzhydryl-1-chloromethanesulfonamide

C14H14ClNO2S — CID 63664660

IUPACN-benzhydryl-1-chloromethanesulfonamide
SMILESO=S(=O)(CCl)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14ClNO2S/c15-11-19(17,18)16-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,16H,11H2
InChIKeyFOTCVUIYUWSZFJ-UHFFFAOYSA-N
MW295.79 g/mol
LogP2.89
Rot. Bonds5

About N-benzhydryl-1-chloromethanesulfonamide

N-benzhydryl-1-chloromethanesulfonamide (PubChem CID 63664660) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-benzhydryl-1-chloromethanesulfonamide.

Molecular Properties

Compound NameN-benzhydryl-1-chloromethanesulfonamide
PubChem CID63664660
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC NameN-benzhydryl-1-chloromethanesulfonamide
SMILESO=S(=O)(CCl)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14ClNO2S/c15-11-19(17,18)16-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,16H,11H2
InChIKeyFOTCVUIYUWSZFJ-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzhydryl-2-hydroxyethanesulfonamide
CID 79589039
N-benzhydryl-2-(diethylamino)ethanesulfonamide
CID 100762604
1-chloro-N-(2-phenylpropyl)methanesulfonamide
CID 63665326
1-chloro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]methanesulfonamide
CID 63665118
N-benzhydryl-2,6-dichlorobenzenesulfonamide
CID 3332711
1-(3,4-dichlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]methanesulfonamide
CID 43915985
N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide
CID 94197100
N-benzhydryl-2-(4-fluorophenoxy)ethanesulfonamide
CID 90518568
N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide
CID 107858585
1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 107858740
1-chloro-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 63666225
N-benzhydryl-4-phenylbenzenesulfonamide
CID 3504321

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-chloromethanesulfonamide?
The IUPAC name of N-benzhydryl-1-chloromethanesulfonamide (CID 63664660) is N-benzhydryl-1-chloromethanesulfonamide.
What is the SMILES notation for N-benzhydryl-1-chloromethanesulfonamide?
The canonical SMILES for N-benzhydryl-1-chloromethanesulfonamide is O=S(=O)(CCl)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-1-chloromethanesulfonamide?
The InChIKey is FOTCVUIYUWSZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c15-11-19(17,18)16-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,16H,11H2.
What are the key properties of N-benzhydryl-1-chloromethanesulfonamide?
N-benzhydryl-1-chloromethanesulfonamide has a molecular weight of 295.79 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-chloromethanesulfonamide is sourced from PubChem (CID 63664660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).