5-bromo-N-[2-chloro-5-(3,5-dimethylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide

C16H19BrClN3O2S2 — CID 69197350

IUPAC5-bromo-N-[2-chloro-5-(3,5-dimethylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide
SMILESCC1CN(c2ccc(Cl)c(NS(=O)(=O)c3ccc(Br)s3)c2)CC(C)N1
InChIInChI=1S/C16H19BrClN3O2S2/c1-10-8-21(9-11(2)19-10)12-3-4-13(18)14(7-12)20-25(22,23)16-6-5-15(17)24-16/h3-7,10-11,19-20H,8-9H2,1-2H3
InChIKeyJNVYGZWFSQBTJC-UHFFFAOYSA-N
MW464.84 g/mol
LogP4.15
Rot. Bonds4

About 5-bromo-N-[2-chloro-5-(3,5-dimethylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide

5-bromo-N-[2-chloro-5-(3,5-dimethylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 69197350) has the molecular formula C16H19BrClN3O2S2 and a molecular weight of 464.84 g/mol. Its IUPAC name is 5-bromo-N-[2-chloro-5-(3,5-dimethylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-chloro-5-(3,5-dimethylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide
PubChem CID69197350
Molecular FormulaC16H19BrClN3O2S2
Molecular Weight464.84 g/mol
Exact Mass462.98
IUPAC Name5-bromo-N-[2-chloro-5-(3,5-dimethylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide
SMILESCC1CN(c2ccc(Cl)c(NS(=O)(=O)c3ccc(Br)s3)c2)CC(C)N1
InChIInChI=1S/C16H19BrClN3O2S2/c1-10-8-21(9-11(2)19-10)12-3-4-13(18)14(7-12)20-25(22,23)16-6-5-15(17)24-16/h3-7,10-11,19-20H,8-9H2,1-2H3
InChIKeyJNVYGZWFSQBTJC-UHFFFAOYSA-N
XLogP4.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.84
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide
CID 113231173
5-(3-chlorophenyl)-N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]thiophene-2-sulfonamide
CID 69195080
N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-5-(4-fluorophenyl)thiophene-2-sulfonamide
CID 69197633
(3S,5R)-1-(3-bromo-4-chlorophenyl)-3,5-dimethylpiperazine;hydrochloride
CID 68961411
N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-5-(3-methylphenyl)thiophene-2-sulfonamide
CID 69197089
5-bromo-N-(4-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 83167503
4-bromo-N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-3-fluorobenzenesulfonamide
CID 59007060
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 1006648
4-(3-chloro-4-fluorophenyl)-N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]benzenesulfonamide
CID 69194576
5-bromo-N-(2,4-dibromophenyl)thiophene-2-sulfonamide
CID 22773592
5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 22773978
3-[(5-bromothiophen-2-yl)sulfonylamino]-4-(3-methylpiperidin-1-yl)benzoic acid
CID 46292370

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-chloro-5-(3,5-dimethylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-chloro-5-(3,5-dimethylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide (CID 69197350) is 5-bromo-N-[2-chloro-5-(3,5-dimethylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-chloro-5-(3,5-dimethylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-chloro-5-(3,5-dimethylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide is CC1CN(c2ccc(Cl)c(NS(=O)(=O)c3ccc(Br)s3)c2)CC(C)N1.
What is the InChIKey of 5-bromo-N-[2-chloro-5-(3,5-dimethylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is JNVYGZWFSQBTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClN3O2S2/c1-10-8-21(9-11(2)19-10)12-3-4-13(18)14(7-12)20-25(22,23)16-6-5-15(17)24-16/h3-7,10-11,19-20H,8-9H2,1-2H3.
What are the key properties of 5-bromo-N-[2-chloro-5-(3,5-dimethylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide?
5-bromo-N-[2-chloro-5-(3,5-dimethylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 464.84 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-chloro-5-(3,5-dimethylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 69197350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).