4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide

C16H18ClNO4S — CID 991853

IUPAC4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)c(OC)cc1Cl
InChIInChI=1S/C16H18ClNO4S/c1-11(12-7-5-4-6-8-12)18-23(19,20)16-10-14(21-2)13(17)9-15(16)22-3/h4-11,18H,1-3H3/t11-/m0/s1
InChIKeyVOMTYMQRCQCYOI-NSHDSACASA-N
MW355.84 g/mol
LogP3.40
Rot. Bonds6

About 4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide

4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide (PubChem CID 991853) has the molecular formula C16H18ClNO4S and a molecular weight of 355.84 g/mol. Its IUPAC name is 4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
PubChem CID991853
Molecular FormulaC16H18ClNO4S
Molecular Weight355.84 g/mol
Exact Mass355.06
IUPAC Name4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)c(OC)cc1Cl
InChIInChI=1S/C16H18ClNO4S/c1-11(12-7-5-4-6-8-12)18-23(19,20)16-10-14(21-2)13(17)9-15(16)22-3/h4-11,18H,1-3H3/t11-/m0/s1
InChIKeyVOMTYMQRCQCYOI-NSHDSACASA-N
XLogP3.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 40921810
4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 50876121
2-bromo-4,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 9185824
2-bromo-4,5-dimethoxy-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 9185826
2-methoxy-4-nitro-N-(1-phenylethyl)benzenesulfonamide
CID 42960706
3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 34959830
N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169513
3-bromo-5-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 55544609
5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 43094138
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chlorobenzenesulfonamide
CID 46445215
4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide
CID 91670103
2-bromo-4,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 55386981

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide (CID 991853) is 4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide is COc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)c(OC)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The InChIKey is VOMTYMQRCQCYOI-NSHDSACASA-N. The full InChI is InChI=1S/C16H18ClNO4S/c1-11(12-7-5-4-6-8-12)18-23(19,20)16-10-14(21-2)13(17)9-15(16)22-3/h4-11,18H,1-3H3/t11-/m0/s1.
What are the key properties of 4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide?
4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide has a molecular weight of 355.84 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 991853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).