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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Related Compounds

N-butan-2-yl-5-chloro-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82884539
N-butan-2-yl-5-chloro-3-(ethylaminomethyl)-N,2-dimethylbenzenesulfonamide
CID 82878757
5-chloro-N-cyclobutyl-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82879050
5-chloro-N-(2-methoxyethyl)-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82879383
2,5-dichloro-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide
CID 106074659
5-fluoro-N-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102920255
5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82884636
4-chloro-3-fluoro-N-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 81450479
5-chloro-2-methoxy-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide
CID 106074909
5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-pentan-3-ylbenzenesulfonamide
CID 82891311
5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-prop-2-ynylbenzenesulfonamide
CID 82885260
5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115988257

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).