N-(cyclopropylmethyl)-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide

C23H29N3O3S — CID 37002112

IUPACN-(cyclopropylmethyl)-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
SMILESCc1cccc(CN2CCN(C(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)CC2)c1
InChIInChI=1S/C23H29N3O3S/c1-18-4-2-5-20(14-18)17-25-10-12-26(13-11-25)23(27)21-6-3-7-22(15-21)30(28,29)24-16-19-8-9-19/h2-7,14-15,19,24H,8-13,16-17H2,1H3
InChIKeyHLANOTINIIYCDE-UHFFFAOYSA-N
MW427.57 g/mol
LogP2.64
Rot. Bonds7

About N-(cyclopropylmethyl)-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide

N-(cyclopropylmethyl)-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 37002112) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
PubChem CID37002112
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-(cyclopropylmethyl)-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
SMILESCc1cccc(CN2CCN(C(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)CC2)c1
InChIInChI=1S/C23H29N3O3S/c1-18-4-2-5-20(14-18)17-25-10-12-26(13-11-25)23(27)21-6-3-7-22(15-21)30(28,29)24-16-19-8-9-19/h2-7,14-15,19,24H,8-13,16-17H2,1H3
InChIKeyHLANOTINIIYCDE-UHFFFAOYSA-N
XLogP2.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 37023245
N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119563230
3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 119376148
N-methyl-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 39731562
[3-(benzenesulfonylmethyl)phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 46492077
1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251819
N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 55655065
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 9336389
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide
CID 119486514
N-(cyclopropylmethyl)-3-(3-methyl-4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 126817604
N-(cyclopropylmethyl)-3-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 55956827
3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 99936530

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide (CID 37002112) is N-(cyclopropylmethyl)-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide is Cc1cccc(CN2CCN(C(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is HLANOTINIIYCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-18-4-2-5-20(14-18)17-25-10-12-26(13-11-25)23(27)21-6-3-7-22(15-21)30(28,29)24-16-19-8-9-19/h2-7,14-15,19,24H,8-13,16-17H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide?
N-(cyclopropylmethyl)-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 427.57 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 37002112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).