4-(methanesulfonamido)-N-(2-methyltetrazol-5-yl)benzenesulfonamide

C9H12N6O4S2 — CID 167789221

IUPAC4-(methanesulfonamido)-N-(2-methyltetrazol-5-yl)benzenesulfonamide
SMILESCn1nnc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)n1
InChIInChI=1S/C9H12N6O4S2/c1-15-11-9(10-14-15)13-21(18,19)8-5-3-7(4-6-8)12-20(2,16)17/h3-6,12H,1-2H3,(H,11,13)
InChIKeyQRPWSVNWRBBSIT-UHFFFAOYSA-N
MW332.37 g/mol
LogP-0.62
Rot. Bonds5

About 4-(methanesulfonamido)-N-(2-methyltetrazol-5-yl)benzenesulfonamide

4-(methanesulfonamido)-N-(2-methyltetrazol-5-yl)benzenesulfonamide (PubChem CID 167789221) has the molecular formula C9H12N6O4S2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-(2-methyltetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-(2-methyltetrazol-5-yl)benzenesulfonamide
PubChem CID167789221
Molecular FormulaC9H12N6O4S2
Molecular Weight332.37 g/mol
Exact Mass332.04
IUPAC Name4-(methanesulfonamido)-N-(2-methyltetrazol-5-yl)benzenesulfonamide
SMILESCn1nnc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)n1
InChIInChI=1S/C9H12N6O4S2/c1-15-11-9(10-14-15)13-21(18,19)8-5-3-7(4-6-8)12-20(2,16)17/h3-6,12H,1-2H3,(H,11,13)
InChIKeyQRPWSVNWRBBSIT-UHFFFAOYSA-N
XLogP-0.62
TPSA135.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(methanesulfonamido)-N-(2-methyltetrazol-5-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methyltetrazol-5-yl)-4-propan-2-ylbenzenesulfonamide
CID 126829167
6-cyano-N-(2-methyltetrazol-5-yl)pyridine-3-sulfonamide
CID 114613899
3-hydrazinyl-N-(2-methyltetrazol-5-yl)-4-nitrobenzenesulfonamide
CID 82847860
4-(methanesulfonamido)-N-propylbenzenesulfonamide
CID 6458395
N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 1290637
4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2446459
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide
CID 130618771
N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 2467720
4-iodo-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 25047142
4-chloro-N-(2-methyltetrazol-5-yl)butane-1-sulfonamide
CID 116816380
4-(methanesulfonamido)-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide
CID 166308941

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-(2-methyltetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(methanesulfonamido)-N-(2-methyltetrazol-5-yl)benzenesulfonamide (CID 167789221) is 4-(methanesulfonamido)-N-(2-methyltetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-(2-methyltetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(methanesulfonamido)-N-(2-methyltetrazol-5-yl)benzenesulfonamide is Cn1nnc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)n1.
What is the InChIKey of 4-(methanesulfonamido)-N-(2-methyltetrazol-5-yl)benzenesulfonamide?
The InChIKey is QRPWSVNWRBBSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O4S2/c1-15-11-9(10-14-15)13-21(18,19)8-5-3-7(4-6-8)12-20(2,16)17/h3-6,12H,1-2H3,(H,11,13).
What are the key properties of 4-(methanesulfonamido)-N-(2-methyltetrazol-5-yl)benzenesulfonamide?
4-(methanesulfonamido)-N-(2-methyltetrazol-5-yl)benzenesulfonamide has a molecular weight of 332.37 g/mol, XLogP of -0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-(2-methyltetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 167789221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).