5-bromo-N-[2-[[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]methyl]phenyl]thiophene-2-sulfonamide

C24H29BrN4O2S2 — CID 68948890

IUPAC5-bromo-N-[2-[[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]methyl]phenyl]thiophene-2-sulfonamide
SMILESCC(CN1CCN(c2ccccc2)CC1)NCc1ccccc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C24H29BrN4O2S2/c1-19(18-28-13-15-29(16-14-28)21-8-3-2-4-9-21)26-17-20-7-5-6-10-22(20)27-33(30,31)24-12-11-23(25)32-24/h2-12,19,26-27H,13-18H2,1H3
InChIKeyZXIJGTHRXOGZKC-UHFFFAOYSA-N
MW549.56 g/mol
LogP4.61
Rot. Bonds9

About 5-bromo-N-[2-[[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]methyl]phenyl]thiophene-2-sulfonamide

5-bromo-N-[2-[[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]methyl]phenyl]thiophene-2-sulfonamide (PubChem CID 68948890) has the molecular formula C24H29BrN4O2S2 and a molecular weight of 549.56 g/mol. Its IUPAC name is 5-bromo-N-[2-[[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]methyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-[[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]methyl]phenyl]thiophene-2-sulfonamide
PubChem CID68948890
Molecular FormulaC24H29BrN4O2S2
Molecular Weight549.56 g/mol
Exact Mass548.09
IUPAC Name5-bromo-N-[2-[[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]methyl]phenyl]thiophene-2-sulfonamide
SMILESCC(CN1CCN(c2ccccc2)CC1)NCc1ccccc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C24H29BrN4O2S2/c1-19(18-28-13-15-29(16-14-28)21-8-3-2-4-9-21)26-17-20-7-5-6-10-22(20)27-33(30,31)24-12-11-23(25)32-24/h2-12,19,26-27H,13-18H2,1H3
InChIKeyZXIJGTHRXOGZKC-UHFFFAOYSA-N
XLogP4.61
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.56
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-bromo-N-[2-[[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]methyl]phenyl]thiophene-2-sulfonamide with MolForge

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Related Compounds

5-(benzenesulfonyl)-N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide
CID 68947386
5-bromo-N-(1-morpholin-4-ylpropan-2-yl)thiophene-2-sulfonamide
CID 54938192
N-[2-[[2-(4-phenylpiperazin-1-yl)propylamino]methyl]phenyl]benzenesulfonamide
CID 69154190
N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-5-(furan-3-yl)thiophene-2-sulfonamide
CID 68948843
(2S)-2-methylsulfonyl-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]propanamide
CID 95776431
N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-1-benzothiophene-2-sulfonamide
CID 11978721
5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide
CID 43606054
3-[5-[[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]sulfamoyl]thiophen-2-yl]-2-ethyl-3H-1,2,4-oxadiazole-5-carboxylic acid
CID 89312543
N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 11978964
N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-5-(3-methoxyphenyl)thiophene-2-sulfonamide
CID 11977594
N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 113271462
2-methyl-3-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]propanamide;trihydrochloride
CID 119903471

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]methyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-[[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]methyl]phenyl]thiophene-2-sulfonamide (CID 68948890) is 5-bromo-N-[2-[[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]methyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-[[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]methyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-[[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]methyl]phenyl]thiophene-2-sulfonamide is CC(CN1CCN(c2ccccc2)CC1)NCc1ccccc1NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-[[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]methyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is ZXIJGTHRXOGZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN4O2S2/c1-19(18-28-13-15-29(16-14-28)21-8-3-2-4-9-21)26-17-20-7-5-6-10-22(20)27-33(30,31)24-12-11-23(25)32-24/h2-12,19,26-27H,13-18H2,1H3.
What are the key properties of 5-bromo-N-[2-[[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]methyl]phenyl]thiophene-2-sulfonamide?
5-bromo-N-[2-[[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]methyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 549.56 g/mol, XLogP of 4.61, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]methyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 68948890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).