N,N-dimethyl-4-(3-methylpiperazin-1-yl)sulfonylbenzamide

C14H21N3O3S — CID 120710435

IUPACN,N-dimethyl-4-(3-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)CCN1
InChIInChI=1S/C14H21N3O3S/c1-11-10-17(9-8-15-11)21(19,20)13-6-4-12(5-7-13)14(18)16(2)3/h4-7,11,15H,8-10H2,1-3H3
InChIKeySYXKUNKWAJEPTB-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.37
Rot. Bonds3

About N,N-dimethyl-4-(3-methylpiperazin-1-yl)sulfonylbenzamide

N,N-dimethyl-4-(3-methylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 120710435) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-methylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-methylpiperazin-1-yl)sulfonylbenzamide
PubChem CID120710435
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN,N-dimethyl-4-(3-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)CCN1
InChIInChI=1S/C14H21N3O3S/c1-11-10-17(9-8-15-11)21(19,20)13-6-4-12(5-7-13)14(18)16(2)3/h4-7,11,15H,8-10H2,1-3H3
InChIKeySYXKUNKWAJEPTB-UHFFFAOYSA-N
XLogP0.37
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 22273336
1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
4-[(3S)-3-methylpiperazin-1-yl]sulfonylbenzonitrile
CID 67348810
4-(3-methylpiperazin-1-yl)sulfonylbenzonitrile
CID 65449200
1-(4-ethylphenyl)sulfonyl-3-methylpiperazine
CID 65449390
1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982135
4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride
CID 119981794
(3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 59152114
(3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine
CID 104975048
4-[4-(3-methylpiperazine-1-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 119578328
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448062
bis[4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanone
CID 174594643

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-methylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N,N-dimethyl-4-(3-methylpiperazin-1-yl)sulfonylbenzamide (CID 120710435) is N,N-dimethyl-4-(3-methylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N,N-dimethyl-4-(3-methylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N,N-dimethyl-4-(3-methylpiperazin-1-yl)sulfonylbenzamide is CC1CN(S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)CCN1.
What is the InChIKey of N,N-dimethyl-4-(3-methylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is SYXKUNKWAJEPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-11-10-17(9-8-15-11)21(19,20)13-6-4-12(5-7-13)14(18)16(2)3/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(3-methylpiperazin-1-yl)sulfonylbenzamide?
N,N-dimethyl-4-(3-methylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 311.41 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-methylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 120710435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).