5-chloro-N,2-dimethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide

C15H25ClN2O2S — CID 82879348

IUPAC5-chloro-N,2-dimethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCc1c(CNC(C)C)cc(Cl)cc1S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C15H25ClN2O2S/c1-10(2)17-9-13-7-14(16)8-15(12(13)5)21(19,20)18(6)11(3)4/h7-8,10-11,17H,9H2,1-6H3
InChIKeyYZDPLKWXSRVBJI-UHFFFAOYSA-N
MW332.90 g/mol
LogP3.18
Rot. Bonds6

About 5-chloro-N,2-dimethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide

5-chloro-N,2-dimethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide (PubChem CID 82879348) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is 5-chloro-N,2-dimethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N,2-dimethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
PubChem CID82879348
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC Name5-chloro-N,2-dimethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCc1c(CNC(C)C)cc(Cl)cc1S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C15H25ClN2O2S/c1-10(2)17-9-13-7-14(16)8-15(12(13)5)21(19,20)18(6)11(3)4/h7-8,10-11,17H,9H2,1-6H3
InChIKeyYZDPLKWXSRVBJI-UHFFFAOYSA-N
XLogP3.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,2-dimethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of 5-chloro-N,2-dimethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide (CID 82879348) is 5-chloro-N,2-dimethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-N,2-dimethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-N,2-dimethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide is Cc1c(CNC(C)C)cc(Cl)cc1S(=O)(=O)N(C)C(C)C.
What is the InChIKey of 5-chloro-N,2-dimethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is YZDPLKWXSRVBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O2S/c1-10(2)17-9-13-7-14(16)8-15(12(13)5)21(19,20)18(6)11(3)4/h7-8,10-11,17H,9H2,1-6H3.
What are the key properties of 5-chloro-N,2-dimethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide?
5-chloro-N,2-dimethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 332.90 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,2-dimethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 82879348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).