1-chloro-4-[[4-(dimethylsulfamoylamino)anilino]methyl]benzene

C15H18ClN3O2S — CID 112982610

IUPAC1-chloro-4-[[4-(dimethylsulfamoylamino)anilino]methyl]benzene
SMILESCN(C)S(=O)(=O)Nc1ccc(NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H18ClN3O2S/c1-19(2)22(20,21)18-15-9-7-14(8-10-15)17-11-12-3-5-13(16)6-4-12/h3-10,17-18H,11H2,1-2H3
InChIKeyFXAHNCOIRRSPJG-UHFFFAOYSA-N
MW339.85 g/mol
LogP3.17
Rot. Bonds6

About 1-chloro-4-[[4-(dimethylsulfamoylamino)anilino]methyl]benzene

1-chloro-4-[[4-(dimethylsulfamoylamino)anilino]methyl]benzene (PubChem CID 112982610) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 1-chloro-4-[[4-(dimethylsulfamoylamino)anilino]methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[[4-(dimethylsulfamoylamino)anilino]methyl]benzene
PubChem CID112982610
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name1-chloro-4-[[4-(dimethylsulfamoylamino)anilino]methyl]benzene
SMILESCN(C)S(=O)(=O)Nc1ccc(NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H18ClN3O2S/c1-19(2)22(20,21)18-15-9-7-14(8-10-15)17-11-12-3-5-13(16)6-4-12/h3-10,17-18H,11H2,1-2H3
InChIKeyFXAHNCOIRRSPJG-UHFFFAOYSA-N
XLogP3.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-chlorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide
CID 110170601
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide
CID 112982611
3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
CID 112983066
1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene
CID 110443542
4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide
CID 43453946
2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine
CID 113027139
1-(2-bromoethyl)-4-(dimethylsulfamoylamino)benzene
CID 114296418
5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine
CID 113012162
2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
CID 112982956
N-benzyl-4-chloroaniline chloride
CID 45109713
N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939276
1-(dimethylsulfamoylamino)-4-formylbenzene
CID 58614334

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[[4-(dimethylsulfamoylamino)anilino]methyl]benzene?
The IUPAC name of 1-chloro-4-[[4-(dimethylsulfamoylamino)anilino]methyl]benzene (CID 112982610) is 1-chloro-4-[[4-(dimethylsulfamoylamino)anilino]methyl]benzene.
What is the SMILES notation for 1-chloro-4-[[4-(dimethylsulfamoylamino)anilino]methyl]benzene?
The canonical SMILES for 1-chloro-4-[[4-(dimethylsulfamoylamino)anilino]methyl]benzene is CN(C)S(=O)(=O)Nc1ccc(NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[[4-(dimethylsulfamoylamino)anilino]methyl]benzene?
The InChIKey is FXAHNCOIRRSPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-19(2)22(20,21)18-15-9-7-14(8-10-15)17-11-12-3-5-13(16)6-4-12/h3-10,17-18H,11H2,1-2H3.
What are the key properties of 1-chloro-4-[[4-(dimethylsulfamoylamino)anilino]methyl]benzene?
1-chloro-4-[[4-(dimethylsulfamoylamino)anilino]methyl]benzene has a molecular weight of 339.85 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[[4-(dimethylsulfamoylamino)anilino]methyl]benzene is sourced from PubChem (CID 112982610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).