1-chloro-2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]benzene

C15H17ClN2O2S — CID 134955354

IUPAC1-chloro-2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]benzene
SMILESCN(C)S(=O)(=O)N[C@@H](c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H17ClN2O2S/c1-18(2)21(19,20)17-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)16/h3-11,15,17H,1-2H3/t15-/m0/s1
InChIKeyFGCCNZPXVNBSLE-HNNXBMFYSA-N
MW324.83 g/mol
LogP2.83
Rot. Bonds5

About 1-chloro-2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]benzene

1-chloro-2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]benzene (PubChem CID 134955354) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 1-chloro-2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]benzene
PubChem CID134955354
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name1-chloro-2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]benzene
SMILESCN(C)S(=O)(=O)N[C@@H](c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H17ClN2O2S/c1-18(2)21(19,20)17-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)16/h3-11,15,17H,1-2H3/t15-/m0/s1
InChIKeyFGCCNZPXVNBSLE-HNNXBMFYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]benzene?
The IUPAC name of 1-chloro-2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]benzene (CID 134955354) is 1-chloro-2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]benzene.
What is the SMILES notation for 1-chloro-2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]benzene?
The canonical SMILES for 1-chloro-2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]benzene is CN(C)S(=O)(=O)N[C@@H](c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]benzene?
The InChIKey is FGCCNZPXVNBSLE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-18(2)21(19,20)17-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)16/h3-11,15,17H,1-2H3/t15-/m0/s1.
What are the key properties of 1-chloro-2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]benzene?
1-chloro-2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]benzene has a molecular weight of 324.83 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]benzene is sourced from PubChem (CID 134955354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).