4-bromo-2,6-dichloro-N,N-bis(cyanomethyl)benzenesulfonamide

C10H6BrCl2N3O2S — CID 51889727

IUPAC4-bromo-2,6-dichloro-N,N-bis(cyanomethyl)benzenesulfonamide
SMILESN#CCN(CC#N)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H6BrCl2N3O2S/c11-7-5-8(12)10(9(13)6-7)19(17,18)16(3-1-14)4-2-15/h5-6H,3-4H2
InChIKeyWZNBSCOKAYIWQD-UHFFFAOYSA-N
MW383.05 g/mol
LogP2.79
Rot. Bonds4

About 4-bromo-2,6-dichloro-N,N-bis(cyanomethyl)benzenesulfonamide

4-bromo-2,6-dichloro-N,N-bis(cyanomethyl)benzenesulfonamide (PubChem CID 51889727) has the molecular formula C10H6BrCl2N3O2S and a molecular weight of 383.05 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N,N-bis(cyanomethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N,N-bis(cyanomethyl)benzenesulfonamide
PubChem CID51889727
Molecular FormulaC10H6BrCl2N3O2S
Molecular Weight383.05 g/mol
Exact Mass380.87
IUPAC Name4-bromo-2,6-dichloro-N,N-bis(cyanomethyl)benzenesulfonamide
SMILESN#CCN(CC#N)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H6BrCl2N3O2S/c11-7-5-8(12)10(9(13)6-7)19(17,18)16(3-1-14)4-2-15/h5-6H,3-4H2
InChIKeyWZNBSCOKAYIWQD-UHFFFAOYSA-N
XLogP2.79
TPSA84.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.05
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2,6-dichloro-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 51888307
4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61217623
4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide
CID 60639771
4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzenesulfonamide
CID 115754612
4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
CID 115902770
4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700364
5-chloro-N,N-bis(cyanomethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 64607392
4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 54978994
4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 60594986
4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 60639715
3-[bis(cyanomethyl)sulfamoyl]-5-chloro-2-methylbenzoic acid
CID 82874481
3-[benzyl-(4-bromo-2,6-dichlorophenyl)sulfonylamino]propanamide
CID 24555937

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N,N-bis(cyanomethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N,N-bis(cyanomethyl)benzenesulfonamide (CID 51889727) is 4-bromo-2,6-dichloro-N,N-bis(cyanomethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N,N-bis(cyanomethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N,N-bis(cyanomethyl)benzenesulfonamide is N#CCN(CC#N)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N,N-bis(cyanomethyl)benzenesulfonamide?
The InChIKey is WZNBSCOKAYIWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2N3O2S/c11-7-5-8(12)10(9(13)6-7)19(17,18)16(3-1-14)4-2-15/h5-6H,3-4H2.
What are the key properties of 4-bromo-2,6-dichloro-N,N-bis(cyanomethyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N,N-bis(cyanomethyl)benzenesulfonamide has a molecular weight of 383.05 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N,N-bis(cyanomethyl)benzenesulfonamide is sourced from PubChem (CID 51889727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).