N-benzyl-N-cyclopropyl-3-(piperazin-1-ylmethyl)benzenesulfonamide

C21H27N3O2S — CID 59826080

IUPACN-benzyl-N-cyclopropyl-3-(piperazin-1-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(CN2CCNCC2)c1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C21H27N3O2S/c25-27(26,24(20-9-10-20)17-18-5-2-1-3-6-18)21-8-4-7-19(15-21)16-23-13-11-22-12-14-23/h1-8,15,20,22H,9-14,16-17H2
InChIKeyYRGUVIQXCONMLK-UHFFFAOYSA-N
MW385.53 g/mol
LogP2.45
Rot. Bonds7

About N-benzyl-N-cyclopropyl-3-(piperazin-1-ylmethyl)benzenesulfonamide

N-benzyl-N-cyclopropyl-3-(piperazin-1-ylmethyl)benzenesulfonamide (PubChem CID 59826080) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-3-(piperazin-1-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-3-(piperazin-1-ylmethyl)benzenesulfonamide
PubChem CID59826080
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-benzyl-N-cyclopropyl-3-(piperazin-1-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(CN2CCNCC2)c1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C21H27N3O2S/c25-27(26,24(20-9-10-20)17-18-5-2-1-3-6-18)21-8-4-7-19(15-21)16-23-13-11-22-12-14-23/h1-8,15,20,22H,9-14,16-17H2
InChIKeyYRGUVIQXCONMLK-UHFFFAOYSA-N
XLogP2.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide
CID 31820934
N-benzyl-4-fluoro-N-[[4-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzenesulfonamide
CID 46886359
N-benzyl-N-(cyclopropylmethyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide
CID 59826270
N-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 10205113
N-benzyl-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzenesulfonamide
CID 59826329
azane;1-benzylpiperazine
CID 174866973
N-cyclopropyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79717324
N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide
CID 27134749
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-piperidin-4-ylbenzenesulfonamide
CID 134447092
N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 24663505
2-[3-[cyclopropyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phenyl]acetic acid
CID 154740064
N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 24663515

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-3-(piperazin-1-ylmethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-cyclopropyl-3-(piperazin-1-ylmethyl)benzenesulfonamide (CID 59826080) is N-benzyl-N-cyclopropyl-3-(piperazin-1-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-3-(piperazin-1-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-3-(piperazin-1-ylmethyl)benzenesulfonamide is O=S(=O)(c1cccc(CN2CCNCC2)c1)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-N-cyclopropyl-3-(piperazin-1-ylmethyl)benzenesulfonamide?
The InChIKey is YRGUVIQXCONMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c25-27(26,24(20-9-10-20)17-18-5-2-1-3-6-18)21-8-4-7-19(15-21)16-23-13-11-22-12-14-23/h1-8,15,20,22H,9-14,16-17H2.
What are the key properties of N-benzyl-N-cyclopropyl-3-(piperazin-1-ylmethyl)benzenesulfonamide?
N-benzyl-N-cyclopropyl-3-(piperazin-1-ylmethyl)benzenesulfonamide has a molecular weight of 385.53 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-3-(piperazin-1-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 59826080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).