N-(1,2-dimethyl-5-phenyl-1,4-benzodiazepin-3-yl)methanesulfonamide

C18H19N3O2S — CID 101027823

IUPACN-(1,2-dimethyl-5-phenyl-1,4-benzodiazepin-3-yl)methanesulfonamide
SMILESCC1=C(NS(C)(=O)=O)N=C(c2ccccc2)c2ccccc2N1C
InChIInChI=1S/C18H19N3O2S/c1-13-18(20-24(3,22)23)19-17(14-9-5-4-6-10-14)15-11-7-8-12-16(15)21(13)2/h4-12,20H,1-3H3
InChIKeyKZXWABPNWVLMDO-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.71
Rot. Bonds3

About N-(1,2-dimethyl-5-phenyl-1,4-benzodiazepin-3-yl)methanesulfonamide

N-(1,2-dimethyl-5-phenyl-1,4-benzodiazepin-3-yl)methanesulfonamide (PubChem CID 101027823) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(1,2-dimethyl-5-phenyl-1,4-benzodiazepin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,2-dimethyl-5-phenyl-1,4-benzodiazepin-3-yl)methanesulfonamide
PubChem CID101027823
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(1,2-dimethyl-5-phenyl-1,4-benzodiazepin-3-yl)methanesulfonamide
SMILESCC1=C(NS(C)(=O)=O)N=C(c2ccccc2)c2ccccc2N1C
InChIInChI=1S/C18H19N3O2S/c1-13-18(20-24(3,22)23)19-17(14-9-5-4-6-10-14)15-11-7-8-12-16(15)21(13)2/h4-12,20H,1-3H3
InChIKeyKZXWABPNWVLMDO-UHFFFAOYSA-N
XLogP2.71
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethyl-5-phenyl-1,4-benzodiazepin-3-yl)methanesulfonamide?
The IUPAC name of N-(1,2-dimethyl-5-phenyl-1,4-benzodiazepin-3-yl)methanesulfonamide (CID 101027823) is N-(1,2-dimethyl-5-phenyl-1,4-benzodiazepin-3-yl)methanesulfonamide.
What is the SMILES notation for N-(1,2-dimethyl-5-phenyl-1,4-benzodiazepin-3-yl)methanesulfonamide?
The canonical SMILES for N-(1,2-dimethyl-5-phenyl-1,4-benzodiazepin-3-yl)methanesulfonamide is CC1=C(NS(C)(=O)=O)N=C(c2ccccc2)c2ccccc2N1C.
What is the InChIKey of N-(1,2-dimethyl-5-phenyl-1,4-benzodiazepin-3-yl)methanesulfonamide?
The InChIKey is KZXWABPNWVLMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13-18(20-24(3,22)23)19-17(14-9-5-4-6-10-14)15-11-7-8-12-16(15)21(13)2/h4-12,20H,1-3H3.
What are the key properties of N-(1,2-dimethyl-5-phenyl-1,4-benzodiazepin-3-yl)methanesulfonamide?
N-(1,2-dimethyl-5-phenyl-1,4-benzodiazepin-3-yl)methanesulfonamide has a molecular weight of 341.44 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethyl-5-phenyl-1,4-benzodiazepin-3-yl)methanesulfonamide is sourced from PubChem (CID 101027823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).